1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide

C19H19ClN4O — CID 9152359

IUPAC1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2nnn(-c3cc(C)ccc3Cl)c2C)c1
InChIInChI=1S/C19H19ClN4O/c1-11-5-7-13(3)16(9-11)21-19(25)18-14(4)24(23-22-18)17-10-12(2)6-8-15(17)20/h5-10H,1-4H3,(H,21,25)
InChIKeyFRXVKEWVXDOMIW-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.41
Rot. Bonds3

About 1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide

1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 9152359) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID9152359
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2nnn(-c3cc(C)ccc3Cl)c2C)c1
InChIInChI=1S/C19H19ClN4O/c1-11-5-7-13(3)16(9-11)21-19(25)18-14(4)24(23-22-18)17-10-12(2)6-8-15(17)20/h5-10H,1-4H3,(H,21,25)
InChIKeyFRXVKEWVXDOMIW-UHFFFAOYSA-N
XLogP4.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 2141051
1-(2-chloro-5-methylphenyl)-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide
CID 16649119
N-(5-chloro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7184617
N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide
CID 22516245
N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150262
1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 7184921
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249
5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27261131
1-(3-bromophenyl)-N-(2-chloro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 60527351
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2150290
1-(2,5-dimethylphenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide
CID 16649473
1-(3-chloro-4-methylphenyl)-N-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 7184539

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide (CID 9152359) is 1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide is Cc1ccc(C)c(NC(=O)c2nnn(-c3cc(C)ccc3Cl)c2C)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is FRXVKEWVXDOMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-11-5-7-13(3)16(9-11)21-19(25)18-14(4)24(23-22-18)17-10-12(2)6-8-15(17)20/h5-10H,1-4H3,(H,21,25).
What are the key properties of 1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide?
1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-N-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 9152359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).