3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine

C157H270N30O3S — CID 157454282

IUPAC3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine
SMILESCC(C)CCCCn1cccc1.CC(C)CCCc1cc[nH]c1.CC(C)CCCn1cccc1.CC(C)CCCn1cccn1.CC(C)CCc1cnc[nH]1.CC(C)CCc1nccs1.CC(C)CCn1cccc1.CC(C)CCn1cncn1.CC(C)Cc1cccnc1.CC(C)Cc1cn(C)cn1.CC(C)Cc1nccn1C.Cc1cc(CC(C)C)no1.Cc1ccn(CCC(C)C)n1.Cc1conc1CC(C)C.Cc1nc(C)n(CCC(C)C)n1.Cc1nccn1CCC(C)C.Cc1nccn1CCCC(C)C.Cc1noc(CC(C)C)n1
InChIInChI=1S/C11H19N.C10H18N2.2C10H17N.C9H17N3.3C9H16N2.C9H15N.C9H13N.3C8H14N2.2C8H13NO.C8H13NS.C7H13N3.C7H12N2O/c1-11(2)7-3-4-8-12-9-5-6-10-12;1-9(2)5-4-7-12-8-6-11-10(12)3;1-10(2)6-5-9-11-7-3-4-8-11;1-9(2)4-3-5-10-6-7-11-8-10;1-7(2)5-6-12-9(4)10-8(3)11-12;1-8(2)4-6-11-7-5-10-9(11)3;1-8(2)4-6-11-7-5-9(3)10-11;1-9(2)5-3-7-11-8-4-6-10-11;1-9(2)5-8-10-6-3-4-7-10;1-8(2)6-9-4-3-5-10-7-9;1-7(2)4-8-5-10(3)6-9-8;1-7(2)6-8-9-4-5-10(8)3;1-7(2)3-4-8-5-9-6-10-8;1-6(2)4-8-7(3)5-10-9-8;1-6(2)4-8-5-7(3)10-9-8;1-7(2)3-4-8-9-5-6-10-8;1-7(2)3-4-10-6-8-5-9-10;1-5(2)4-7-8-6(3)9-10-7/h5-6,9-11H,3-4,7-8H2,1-2H3;6,8-9H,4-5,7H2,1-3H3;3-4,7-8,10H,5-6,9H2,1-2H3;6-9,11H,3-5H2,1-2H3;7H,5-6H2,1-4H3;2*5,7-8H,4,6H2,1-3H3;4,6,8-9H,3,5,7H2,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;5-7H,3-4H2,1-2H3,(H,9,10);2*5-6H,4H2,1-3H3;2*5-7H,3-4H2,1-2H3;5H,4H2,1-3H3
InChIKeyBTDYRDUBKMDWML-UHFFFAOYSA-N
MW2658.16 g/mol
LogP40.64
Rot. Bonds54

About 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine

3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine (PubChem CID 157454282) has the molecular formula C157H270N30O3S and a molecular weight of 2658.16 g/mol. Its IUPAC name is 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine.

Molecular Properties

Compound Name3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine
PubChem CID157454282
Molecular FormulaC157H270N30O3S
Molecular Weight2658.16 g/mol
Exact Mass2656.16
IUPAC Name3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine
SMILESCC(C)CCCCn1cccc1.CC(C)CCCc1cc[nH]c1.CC(C)CCCn1cccc1.CC(C)CCCn1cccn1.CC(C)CCc1cnc[nH]1.CC(C)CCc1nccs1.CC(C)CCn1cccc1.CC(C)CCn1cncn1.CC(C)Cc1cccnc1.CC(C)Cc1cn(C)cn1.CC(C)Cc1nccn1C.Cc1cc(CC(C)C)no1.Cc1ccn(CCC(C)C)n1.Cc1conc1CC(C)C.Cc1nc(C)n(CCC(C)C)n1.Cc1nccn1CCC(C)C.Cc1nccn1CCCC(C)C.Cc1noc(CC(C)C)n1
InChIInChI=1S/C11H19N.C10H18N2.2C10H17N.C9H17N3.3C9H16N2.C9H15N.C9H13N.3C8H14N2.2C8H13NO.C8H13NS.C7H13N3.C7H12N2O/c1-11(2)7-3-4-8-12-9-5-6-10-12;1-9(2)5-4-7-12-8-6-11-10(12)3;1-10(2)6-5-9-11-7-3-4-8-11;1-9(2)4-3-5-10-6-7-11-8-10;1-7(2)5-6-12-9(4)10-8(3)11-12;1-8(2)4-6-11-7-5-10-9(11)3;1-8(2)4-6-11-7-5-9(3)10-11;1-9(2)5-3-7-11-8-4-6-10-11;1-9(2)5-8-10-6-3-4-7-10;1-8(2)6-9-4-3-5-10-7-9;1-7(2)4-8-5-10(3)6-9-8;1-7(2)6-8-9-4-5-10(8)3;1-7(2)3-4-8-5-9-6-10-8;1-6(2)4-8-7(3)5-10-9-8;1-6(2)4-8-5-7(3)10-9-8;1-7(2)3-4-8-9-5-6-10-8;1-7(2)3-4-10-6-8-5-9-10;1-5(2)4-7-8-6(3)9-10-7/h5-6,9-11H,3-4,7-8H2,1-2H3;6,8-9H,4-5,7H2,1-3H3;3-4,7-8,10H,5-6,9H2,1-2H3;6-9,11H,3-5H2,1-2H3;7H,5-6H2,1-4H3;2*5,7-8H,4,6H2,1-3H3;4,6,8-9H,3,5,7H2,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;5-7H,3-4H2,1-2H3,(H,9,10);2*5-6H,4H2,1-3H3;2*5-7H,3-4H2,1-2H3;5H,4H2,1-3H3
InChIKeyBTDYRDUBKMDWML-UHFFFAOYSA-N
XLogP40.64
TPSA344.36 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds54
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002658.16
LogP ≤ 540.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine with MolForge

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Related Compounds

N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 118537142
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 118537225
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(1,3-thiazol-2-yl)acetamide
CID 90445856
4-[4-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3-[3-[6-pyridazin-3-yl-5-(1,2-thiazol-3-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136650165
3-[4-(1H-imidazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)pyrazol-3-yl]-1,2-oxazole
CID 141028368
5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[2,1-b][1,3]thiazol-4-ium;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;1,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-7-ium;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 157219463
1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;bis(3,5-di(propan-2-yl)-1,2-oxazole);1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)-1,3,4-thiadiazole;2,5-di(propan-2-yl)-1,3-thiazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole
CID 157260896
2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-ylpyrazine);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;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-3H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157292200
5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;4-tert-butyl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 157303965
bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine
CID 157491025
3,5-dimethyl-4-propan-2-yl-2H-pyrrole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-benzimidazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)
CID 157660516
2-tert-butyl-4-ethyl-1,3-thiazole;3-tert-butyl-5-(fluoromethyl)-1,2-oxazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tris(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157905791

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine?
The IUPAC name of 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine (CID 157454282) is 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine.
What is the SMILES notation for 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine?
The canonical SMILES for 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine is CC(C)CCCCn1cccc1.CC(C)CCCc1cc[nH]c1.CC(C)CCCn1cccc1.CC(C)CCCn1cccn1.CC(C)CCc1cnc[nH]1.CC(C)CCc1nccs1.CC(C)CCn1cccc1.CC(C)CCn1cncn1.CC(C)Cc1cccnc1.CC(C)Cc1cn(C)cn1.CC(C)Cc1nccn1C.Cc1cc(CC(C)C)no1.Cc1ccn(CCC(C)C)n1.Cc1conc1CC(C)C.Cc1nc(C)n(CCC(C)C)n1.Cc1nccn1CCC(C)C.Cc1nccn1CCCC(C)C.Cc1noc(CC(C)C)n1.
What is the InChIKey of 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine?
The InChIKey is BTDYRDUBKMDWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.C10H18N2.2C10H17N.C9H17N3.3C9H16N2.C9H15N.C9H13N.3C8H14N2.2C8H13NO.C8H13NS.C7H13N3.C7H12N2O/c1-11(2)7-3-4-8-12-9-5-6-10-12;1-9(2)5-4-7-12-8-6-11-10(12)3;1-10(2)6-5-9-11-7-3-4-8-11;1-9(2)4-3-5-10-6-7-11-8-10;1-7(2)5-6-12-9(4)10-8(3)11-12;1-8(2)4-6-11-7-5-10-9(11)3;1-8(2)4-6-11-7-5-9(3)10-11;1-9(2)5-3-7-11-8-4-6-10-11;1-9(2)5-8-10-6-3-4-7-10;1-8(2)6-9-4-3-5-10-7-9;1-7(2)4-8-5-10(3)6-9-8;1-7(2)6-8-9-4-5-10(8)3;1-7(2)3-4-8-5-9-6-10-8;1-6(2)4-8-7(3)5-10-9-8;1-6(2)4-8-5-7(3)10-9-8;1-7(2)3-4-8-9-5-6-10-8;1-7(2)3-4-10-6-8-5-9-10;1-5(2)4-7-8-6(3)9-10-7/h5-6,9-11H,3-4,7-8H2,1-2H3;6,8-9H,4-5,7H2,1-3H3;3-4,7-8,10H,5-6,9H2,1-2H3;6-9,11H,3-5H2,1-2H3;7H,5-6H2,1-4H3;2*5,7-8H,4,6H2,1-3H3;4,6,8-9H,3,5,7H2,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;5-7H,3-4H2,1-2H3,(H,9,10);2*5-6H,4H2,1-3H3;2*5-7H,3-4H2,1-2H3;5H,4H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine?
3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine has a molecular weight of 2658.16 g/mol, XLogP of 40.64, 54 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(3-methylbutyl)-1,2,4-triazole;1-(5-methylhexyl)pyrrole;2-methyl-1-(3-methylbutyl)imidazole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;4-methyl-3-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine is sourced from PubChem (CID 157454282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).