3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole

C17H17N3 — CID 140582477

IUPAC3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole
SMILESCc1cccc(-c2nc(C)nn2-c2ccccc2C)c1
InChIInChI=1S/C17H17N3/c1-12-7-6-9-15(11-12)17-18-14(3)19-20(17)16-10-5-4-8-13(16)2/h4-11H,1-3H3
InChIKeyJSKIWKBUISPAQY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.86
Rot. Bonds2

About 3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole

3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole (PubChem CID 140582477) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole
PubChem CID140582477
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole
SMILESCc1cccc(-c2nc(C)nn2-c2ccccc2C)c1
InChIInChI=1S/C17H17N3/c1-12-7-6-9-15(11-12)17-18-14(3)19-20(17)16-10-5-4-8-13(16)2/h4-11H,1-3H3
InChIKeyJSKIWKBUISPAQY-UHFFFAOYSA-N
XLogP3.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 4598830
1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole
CID 134846974
5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole
CID 71073412
[3-[2-(2-methylphenyl)-1,2,4-triazol-3-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140712954
ethene;1-methyl-3-phenylbenzene
CID 142622149
3-bromo-5-methyl-1-(2-methylphenyl)pyrazole
CID 59022551
2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 17000755
1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745567
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
5-methoxy-2-[[1-(2-methylphenyl)-3-(3-methylphenyl)pyrazol-5-yl]amino]benzoic acid
CID 69276897
1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 130289066

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole?
The IUPAC name of 3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole (CID 140582477) is 3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole?
The canonical SMILES for 3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole is Cc1cccc(-c2nc(C)nn2-c2ccccc2C)c1.
What is the InChIKey of 3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole?
The InChIKey is JSKIWKBUISPAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-7-6-9-15(11-12)17-18-14(3)19-20(17)16-10-5-4-8-13(16)2/h4-11H,1-3H3.
What are the key properties of 3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole?
3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole has a molecular weight of 263.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole is sourced from PubChem (CID 140582477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).