N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide

C11H12N4O — CID 47334767

IUPACN-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn[nH]n2)cc1C
InChIInChI=1S/C11H12N4O/c1-7-3-4-9(5-8(7)2)13-11(16)10-6-12-15-14-10/h3-6H,1-2H3,(H,13,16)(H,12,14,15)
InChIKeyFUFVVYNOQMGIAF-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.67
Rot. Bonds2

About N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide

N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide (PubChem CID 47334767) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
PubChem CID47334767
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn[nH]n2)cc1C
InChIInChI=1S/C11H12N4O/c1-7-3-4-9(5-8(7)2)13-11(16)10-6-12-15-14-10/h3-6H,1-2H3,(H,13,16)(H,12,14,15)
InChIKeyFUFVVYNOQMGIAF-UHFFFAOYSA-N
XLogP1.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
CID 110475458
N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 47367376
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide
CID 112733206
N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865072
N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide
CID 112729777
N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 47338086
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55555026
5-acetamido-2-(2H-triazole-4-carbonylamino)benzoic acid
CID 63283056
4-(2H-triazole-4-carbonylamino)benzoic acid
CID 62033868
N-(3-iodophenyl)-2H-triazole-4-carboxamide
CID 47338141
N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 112733236

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide (CID 47334767) is N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide is Cc1ccc(NC(=O)c2cn[nH]n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is FUFVVYNOQMGIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-3-4-9(5-8(7)2)13-11(16)10-6-12-15-14-10/h3-6H,1-2H3,(H,13,16)(H,12,14,15).
What are the key properties of N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide?
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 47334767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).