1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole

C109H225N31S2 — CID 159028844

IUPAC1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccnn1C.CC(C)c1ccns1.CC(C)c1cn(C)cn1.CC(C)c1cncn1C.CC(C)c1cnn(C)c1.CC(C)c1cnsc1.CC(C)c1nnn(C)n1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.Cc1c(C(C)C)nnn1C.Cc1nnn(C(C)C)n1.Cc1nnn(C)c1C(C)C
InChIInChI=1S/2C7H13N3.4C7H12N2.2C6H10N2.2C6H9NS.2C5H10N4.C5H9N3.14C2H6/c1-5(2)7-6(3)10(4)9-8-7;1-5(2)7-6(3)8-9-10(7)4;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-8-9(3)7-5;1-4(2)9-7-5(3)6-8-9;1-5(2)8-4-3-6-7-8;14*1-2/h2*5H,1-4H3;4*4-6H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;2*4H,1-3H3;3-5H,1-2H3;14*1-2H3
InChIKeyJUPRKXIJEAYREC-UHFFFAOYSA-N
MW2034.35 g/mol
LogP32.25
Rot. Bonds13

About 1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole

1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole (PubChem CID 159028844) has the molecular formula C109H225N31S2 and a molecular weight of 2034.35 g/mol. Its IUPAC name is 1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole.

Molecular Properties

Compound Name1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole
PubChem CID159028844
Molecular FormulaC109H225N31S2
Molecular Weight2034.35 g/mol
Exact Mass2032.80
IUPAC Name1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccnn1C.CC(C)c1ccns1.CC(C)c1cn(C)cn1.CC(C)c1cncn1C.CC(C)c1cnn(C)c1.CC(C)c1cnsc1.CC(C)c1nnn(C)n1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.Cc1c(C(C)C)nnn1C.Cc1nnn(C(C)C)n1.Cc1nnn(C)c1C(C)C
InChIInChI=1S/2C7H13N3.4C7H12N2.2C6H10N2.2C6H9NS.2C5H10N4.C5H9N3.14C2H6/c1-5(2)7-6(3)10(4)9-8-7;1-5(2)7-6(3)8-9-10(7)4;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-8-9(3)7-5;1-4(2)9-7-5(3)6-8-9;1-5(2)8-4-3-6-7-8;14*1-2/h2*5H,1-4H3;4*4-6H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;2*4H,1-3H3;3-5H,1-2H3;14*1-2H3
InChIKeyJUPRKXIJEAYREC-UHFFFAOYSA-N
XLogP32.25
TPSA312.03 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds13
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002034.35
LogP ≤ 532.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole with MolForge

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Launch Full Analysis

Related Compounds

1,4-dimethylpyrazole;N-[[1-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]methyl]-3-(1-methylsulfanylpyrrolidin-3-yl)-1,2-thiazol-5-amine
CID 143460536
butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)tetrazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine)
CID 157315111
1,2-dimethyl-5-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylimidazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;4,5-dimethyl-1-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-3H-pyrrole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;bis(3-methyl-1-propan-2-ylpyrazole);4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-3H-pyrrole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-3H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 157391873
1-Methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
CID 157639027
Ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole
CID 157673052
Bis(1,4-di(propan-2-yl)imidazole);bis(1,3-di(propan-2-yl)pyrazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(1,3-di(propan-2-yl)-1,2,4-triazole);bis(1,4-di(propan-2-yl)triazole);bis(2,4-di(propan-2-yl)triazole)
CID 157966506
1,2-Ditert-butyl-4,5-dihydroimidazole;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;1,5-ditert-butylpyrazole;1,5-ditert-butyltetrazole;1,5-ditert-butyltriazole;1,5-ditert-butyl-1,2,4-triazole;3,4-ditert-butyl-1,2,4-triazole;ethane
CID 157995368
1,3-Di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole
CID 158007454
4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole
CID 158230200
1-Methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methylpyrrole;1-methyltetrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
CID 158447211
1,4-Di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole
CID 158536238
5-Butan-2-yl-1-methylpyrazole;ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 158649412

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole?
The IUPAC name of 1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole (CID 159028844) is 1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole.
What is the SMILES notation for 1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole?
The canonical SMILES for 1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccnn1C.CC(C)c1ccns1.CC(C)c1cn(C)cn1.CC(C)c1cncn1C.CC(C)c1cnn(C)c1.CC(C)c1cnsc1.CC(C)c1nnn(C)n1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.Cc1c(C(C)C)nnn1C.Cc1nnn(C(C)C)n1.Cc1nnn(C)c1C(C)C.
What is the InChIKey of 1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole?
The InChIKey is JUPRKXIJEAYREC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13N3.4C7H12N2.2C6H10N2.2C6H9NS.2C5H10N4.C5H9N3.14C2H6/c1-5(2)7-6(3)10(4)9-8-7;1-5(2)7-6(3)8-9-10(7)4;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-4(2)5-6-8-9(3)7-5;1-4(2)9-7-5(3)6-8-9;1-5(2)8-4-3-6-7-8;14*1-2/h2*5H,1-4H3;4*4-6H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;2*4H,1-3H3;3-5H,1-2H3;14*1-2H3.
What are the key properties of 1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole?
1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole has a molecular weight of 2034.35 g/mol, XLogP of 32.25, 13 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-4-propan-2-yltriazole;ethane;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;1-propan-2-yltriazole is sourced from PubChem (CID 159028844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).