N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide

C10H10N6O2 — CID 47338316

IUPACN-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2cn[nH]n2)cc1
InChIInChI=1S/C10H10N6O2/c11-10(18)14-7-3-1-6(2-4-7)13-9(17)8-5-12-16-15-8/h1-5H,(H,13,17)(H3,11,14,18)(H,12,15,16)
InChIKeyGBLIRACOHCULHY-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.55
Rot. Bonds3

About N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide

N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide (PubChem CID 47338316) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
PubChem CID47338316
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC NameN-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2cn[nH]n2)cc1
InChIInChI=1S/C10H10N6O2/c11-10(18)14-7-3-1-6(2-4-7)13-9(17)8-5-12-16-15-8/h1-5H,(H,13,17)(H3,11,14,18)(H,12,15,16)
InChIKeyGBLIRACOHCULHY-UHFFFAOYSA-N
XLogP0.55
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[4-(carbamoylamino)phenyl]-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

4-(2H-triazole-4-carbonylamino)benzoic acid
CID 62033868
N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 110475487
N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide
CID 78969284
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
3-[4-(2H-triazole-4-carbonylamino)phenyl]prop-2-enoic acid
CID 78979322
N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733239
N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 60786492
2H-triazole-4-carbohydrazide
CID 50989778
N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 47338086
N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
CID 110475458
N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 47367376
N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide
CID 112729777

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide (CID 47338316) is N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide is NC(=O)Nc1ccc(NC(=O)c2cn[nH]n2)cc1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is GBLIRACOHCULHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c11-10(18)14-7-3-1-6(2-4-7)13-9(17)8-5-12-16-15-8/h1-5H,(H,13,17)(H3,11,14,18)(H,12,15,16).
What are the key properties of N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide?
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 246.23 g/mol, XLogP of 0.55, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 47338316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).