N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide

C18H18N4O — CID 2150249

IUPACN-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C18H18N4O/c1-12-9-10-16(13(2)11-12)19-18(23)17-14(3)22(21-20-17)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,19,23)
InChIKeyGGLJTZDMLKUPHV-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.44
Rot. Bonds3

About N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide

N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide (PubChem CID 2150249) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
PubChem CID2150249
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C18H18N4O/c1-12-9-10-16(13(2)11-12)19-18(23)17-14(3)22(21-20-17)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,19,23)
InChIKeyGGLJTZDMLKUPHV-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-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150262
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2150290
N-(2,4-dimethylphenyl)-5-(methoxymethyl)-1-phenyltriazole-4-carboxamide
CID 16651250
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
1-(3-bromophenyl)-N-(2-chloro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 60527351
N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide
CID 22516245
5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015807
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745758
1-(3-fluoro-4-methylphenyl)-N-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7246369
1-(4-chlorophenyl)-5-methyl-N-(4-methyl-2-nitrophenyl)triazole-4-carboxamide
CID 16651356
5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
CID 24825148
1-(4-methylphenyl)-3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]thiourea
CID 985458

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide (CID 2150249) is N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide is Cc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide?
The InChIKey is GGLJTZDMLKUPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-9-10-16(13(2)11-12)19-18(23)17-14(3)22(21-20-17)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,19,23).
What are the key properties of N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide?
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-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-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 2150249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).