N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide

C10H9ClN4O — CID 110475458

IUPACN-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn[nH]n2)cc1Cl
InChIInChI=1S/C10H9ClN4O/c1-6-2-3-7(4-8(6)11)13-10(16)9-5-12-15-14-9/h2-5H,1H3,(H,13,16)(H,12,14,15)
InChIKeyRWWVSNMQTMEMCS-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.02
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide

N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide (PubChem CID 110475458) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
PubChem CID110475458
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC NameN-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn[nH]n2)cc1Cl
InChIInChI=1S/C10H9ClN4O/c1-6-2-3-7(4-8(6)11)13-10(16)9-5-12-15-14-9/h2-5H,1H3,(H,13,16)(H,12,14,15)
InChIKeyRWWVSNMQTMEMCS-UHFFFAOYSA-N
XLogP2.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methylphenyl)-2H-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

N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide
CID 112729777
N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 47338086
N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 47367376
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide
CID 112733206
(3-chloro-4-methylphenyl)-(2H-triazol-4-yl)methanone
CID 107559913
5-acetamido-2-(2H-triazole-4-carbonylamino)benzoic acid
CID 63283056
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181317
6-N-(3-chloro-4-methylphenyl)-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100769
N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195857
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide (CID 110475458) is N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide is Cc1ccc(NC(=O)c2cn[nH]n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is RWWVSNMQTMEMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-6-2-3-7(4-8(6)11)13-10(16)9-5-12-15-14-9/h2-5H,1H3,(H,13,16)(H,12,14,15).
What are the key properties of N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide?
N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 110475458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).