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

C18H18N4O — CID 38951839

IUPACN-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3cc(C)ccc3C)nn2)cc1
InChIInChI=1S/C18H18N4O/c1-12-5-8-15(9-6-12)22-11-17(20-21-22)18(23)19-16-10-13(2)4-7-14(16)3/h4-11H,1-3H3,(H,19,23)
InChIKeyOGHGXJDEQSTWGK-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.44
Rot. Bonds3

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

N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 38951839) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID38951839
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3cc(C)ccc3C)nn2)cc1
InChIInChI=1S/C18H18N4O/c1-12-5-8-15(9-6-12)22-11-17(20-21-22)18(23)19-16-10-13(2)4-7-14(16)3/h4-11H,1-3H3,(H,19,23)
InChIKeyOGHGXJDEQSTWGK-UHFFFAOYSA-N
XLogP3.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 136929474
N-(4-chloro-2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38955384
N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38953471
N-(5-chloro-2-methylphenyl)-1-(3-hydroxy-4-methylphenyl)triazole-4-carboxamide
CID 155591167
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 119041119
1-(4-methylphenyl)triazole-4-carbonyl chloride
CID 71320958
methyl 4-chloro-3-[[1-(4-methylphenyl)triazole-4-carbonyl]amino]benzoate
CID 99587320
N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686504
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
1-(4-methylphenyl)-N-pentyltriazole-4-carboxamide
CID 20973744
[5-[4-[(5-chloro-2-methylphenyl)carbamoyl]triazol-1-yl]-2-fluorophenyl] N-methylcarbamate
CID 155591147
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686156

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide (CID 38951839) is N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)Nc3cc(C)ccc3C)nn2)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is OGHGXJDEQSTWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-5-8-15(9-6-12)22-11-17(20-21-22)18(23)19-16-10-13(2)4-7-14(16)3/h4-11H,1-3H3,(H,19,23).
What are the key properties of N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 38951839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).