1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide

C18H17ClN4O — CID 7184921

IUPAC1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)cc1
InChIInChI=1S/C18H17ClN4O/c1-11-4-7-14(8-5-11)20-18(24)17-13(3)23(22-21-17)15-9-6-12(2)16(19)10-15/h4-10H,1-3H3,(H,20,24)
InChIKeyLXBSYOHYTKQYNN-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.10
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide

1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 7184921) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
PubChem CID7184921
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)cc1
InChIInChI=1S/C18H17ClN4O/c1-11-4-7-14(8-5-11)20-18(24)17-13(3)23(22-21-17)15-9-6-12(2)16(19)10-15/h4-10H,1-3H3,(H,20,24)
InChIKeyLXBSYOHYTKQYNN-UHFFFAOYSA-N
XLogP4.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
methyl 3-[[1-(3-chloro-4-methylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649515
1-(3-chloro-4-methylphenyl)-N-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 7184539
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
1-(3-chloro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82198923
N-(3,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7246289
1-(3-chloro-4-methylphenyl)-N-[2-(diethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 46858143
1-(3-chloro-4-methylphenyl)-N-[(2-chlorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858117
1-(3-chlorophenyl)-5-methyl-N-(4-piperidin-1-ylphenyl)triazole-4-carboxamide
CID 60527463
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150262
5-methyl-N-(4-methylphenyl)-1-(3-nitrophenyl)triazole-4-carboxamide
CID 31757635

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide (CID 7184921) is 1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(NC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)cc1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is LXBSYOHYTKQYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-4-7-14(8-5-11)20-18(24)17-13(3)23(22-21-17)15-9-6-12(2)16(19)10-15/h4-10H,1-3H3,(H,20,24).
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide?
1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 7184921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).