azane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole

C256H480N48O8S6 — CID 158583678

IUPACazane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccn(C)c1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1ccnnc1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cn(C)cn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnnn1C.Cc1nnn(C)c1C(C)C.Cc1nnoc1C(C)C.Cc1onnc1C(C)C.N
InChIInChI=1S/C8H13N.3C8H11N.C7H13N3.2C7H12N2.C7H10N2.2C7H12N2.5C7H10N2.2C6H10N2O.6C6H9NO.6C6H9NS.C5H10N4.C4H10.27C2H6.H3N/c1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-6(3)8-9-10(7)4;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-4(2)6-5(3)9-8-7-6;1-4(2)6-5(3)7-8-9-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-7-8-9(5)3;1-4(2)3;27*1-2;/h4-7H,1-3H3;3*3-7H,1-2H3;5H,1-4H3;2*4-6H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;5*3-6H,1-2H3;2*4H,1-3H3;12*3-5H,1-2H3;4H,1-3H3;4H,1-3H3;27*1-2H3;1H3
InChIKeyDGZPPKFTEUNBBO-UHFFFAOYSA-N
MW4551.39 g/mol
LogP83.04
Rot. Bonds30

About azane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole

azane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 158583678) has the molecular formula C256H480N48O8S6 and a molecular weight of 4551.39 g/mol. Its IUPAC name is azane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Nameazane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
PubChem CID158583678
Molecular FormulaC256H480N48O8S6
Molecular Weight4551.39 g/mol
Exact Mass4547.70
IUPAC Nameazane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccn(C)c1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1ccnnc1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cn(C)cn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnnn1C.Cc1nnn(C)c1C(C)C.Cc1nnoc1C(C)C.Cc1onnc1C(C)C.N
InChIInChI=1S/C8H13N.3C8H11N.C7H13N3.2C7H12N2.C7H10N2.2C7H12N2.5C7H10N2.2C6H10N2O.6C6H9NO.6C6H9NS.C5H10N4.C4H10.27C2H6.H3N/c1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-6(3)8-9-10(7)4;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-4(2)6-5(3)9-8-7-6;1-4(2)6-5(3)7-8-9-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-7-8-9(5)3;1-4(2)3;27*1-2;/h4-7H,1-3H3;3*3-7H,1-2H3;5H,1-4H3;2*4-6H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;5*3-6H,1-2H3;2*4H,1-3H3;12*3-5H,1-2H3;4H,1-3H3;4H,1-3H3;27*1-2H3;1H3
InChIKeyDGZPPKFTEUNBBO-UHFFFAOYSA-N
XLogP83.04
TPSA690.23 Ų
H-Bond Donors1
H-Bond Acceptors62
Rotatable Bonds30
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004551.39
LogP ≤ 583.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1062

Analyze azane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 157067177
CID 157298273
CID 157298273
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;bis(5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole);1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;2-fluoro-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 157501942
N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)-1-pyridin-2-ylethanone;N-(2-methylpropyl)oxan-4-amine;2-methyl-N-(2-pyrazin-2-ylethyl)propan-1-amine;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-(2-pyrimidin-4-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide
CID 157544264
3-Tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3-(trifluoromethyl)-1,2-oxazole;3-cyclopropyl-2-methyl-5-propan-2-yl-1,2,4-oxadiazol-2-ium;1,5-dimethyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-yl-1,2,4-triazole
CID 157545873
2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 157582125
3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;5-tert-butyl-3-(trifluoromethyl)-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-ethyl-4-propan-2-ylpyrazole;methane;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;4-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;1-propan-2-yl-1,2,4-triazole
CID 157603729
2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 158019428
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1-ethyl-4-propan-2-yltriazole;2-fluoro-4-propan-2-ylpyridine;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-yltriazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 158159608
1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-ylpyrazole;(5-propan-2-ylthiophen-2-yl)methanol;1-propan-2-yl-1,2,4-triazole
CID 158463660
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;bis(3-tert-butyl-1-methylpyrazole);3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole
CID 158711469
5-Tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole
CID 158886857

Frequently Asked Questions

What is the IUPAC name of azane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of azane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole (CID 158583678) is azane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for azane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for azane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccn(C)c1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnn1C.CC(C)c1ccnnc1.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1ccon1.CC(C)c1ccsn1.CC(C)c1cn(C)cn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnnn1C.Cc1nnn(C)c1C(C)C.Cc1nnoc1C(C)C.Cc1onnc1C(C)C.N.
What is the InChIKey of azane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is DGZPPKFTEUNBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.3C8H11N.C7H13N3.2C7H12N2.C7H10N2.2C7H12N2.5C7H10N2.2C6H10N2O.6C6H9NO.6C6H9NS.C5H10N4.C4H10.27C2H6.H3N/c1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-6(3)8-9-10(7)4;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-4(2)6-5(3)9-8-7-6;1-4(2)6-5(3)7-8-9-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-7-8-9(5)3;1-4(2)3;27*1-2;/h4-7H,1-3H3;3*3-7H,1-2H3;5H,1-4H3;2*4-6H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;5*3-6H,1-2H3;2*4H,1-3H3;12*3-5H,1-2H3;4H,1-3H3;4H,1-3H3;27*1-2H3;1H3.
What are the key properties of azane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
azane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 4551.39 g/mol, XLogP of 83.04, 30 rotatable bonds, 1 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,4-dimethyl-5-propan-2-yltriazole;ethane;2-methylpropane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;4-methyl-5-propan-2-yloxadiazole;5-methyl-4-propan-2-yloxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158583678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).