1-[(4-chlorophenyl)methyl]triazole-4-carboxamide

C10H9ClN4O — CID 154805457

IUPAC1-[(4-chlorophenyl)methyl]triazole-4-carboxamide
SMILESNC(=O)c1cn(Cc2ccc(Cl)cc2)nn1
InChIInChI=1S/C10H9ClN4O/c11-8-3-1-7(2-4-8)5-15-6-9(10(12)16)13-14-15/h1-4,6H,5H2,(H2,12,16)
InChIKeyNDXYILLKDTYLJL-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.08
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]triazole-4-carboxamide

1-[(4-chlorophenyl)methyl]triazole-4-carboxamide (PubChem CID 154805457) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]triazole-4-carboxamide
PubChem CID154805457
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name1-[(4-chlorophenyl)methyl]triazole-4-carboxamide
SMILESNC(=O)c1cn(Cc2ccc(Cl)cc2)nn1
InChIInChI=1S/C10H9ClN4O/c11-8-3-1-7(2-4-8)5-15-6-9(10(12)16)13-14-15/h1-4,6H,5H2,(H2,12,16)
InChIKeyNDXYILLKDTYLJL-UHFFFAOYSA-N
XLogP1.08
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chlorophenyl)methyl]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-[(2,6-dichlorophenyl)methyl]triazole-4-carboxamide
CID 21282594
1-benzyltriazole-4-carbonyl chloride
CID 87720228
ethyl 1-[(4-methylphenyl)methyl]triazole-4-carboxylate
CID 849724
ethyl 3-[[1-[(4-chlorophenyl)methyl]triazole-4-carbonyl]amino]hexanoate
CID 45219680
[1-(2-aminoethyl)triazol-4-yl]-(4-chlorophenyl)methanone
CID 116583092
1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide
CID 56905401
1-(1-benzyltriazol-4-yl)-2-(2,4-dichlorophenyl)ethanone
CID 56666169
1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide
CID 42348988
1-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
CID 25458811
1-[(4-chlorophenyl)methyl]-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
CID 25295269
N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide
CID 26406270
1-[(2-fluoro-6-methylphenyl)methyl]triazole-4-carboxamide
CID 90142504

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]triazole-4-carboxamide (CID 154805457) is 1-[(4-chlorophenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]triazole-4-carboxamide is NC(=O)c1cn(Cc2ccc(Cl)cc2)nn1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]triazole-4-carboxamide?
The InChIKey is NDXYILLKDTYLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-8-3-1-7(2-4-8)5-15-6-9(10(12)16)13-14-15/h1-4,6H,5H2,(H2,12,16).
What are the key properties of 1-[(4-chlorophenyl)methyl]triazole-4-carboxamide?
1-[(4-chlorophenyl)methyl]triazole-4-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 154805457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).