4H-triazole-5-carboxamide

C3H4N4O — CID 125415069

IUPAC4H-triazole-5-carboxamide
SMILESNC(=O)C1=NN=NC1
InChIInChI=1S/C3H4N4O/c4-3(8)2-1-5-7-6-2/h1H2,(H2,4,8)
InChIKeyCUFXNRJRBGDKAD-UHFFFAOYSA-N
MW112.09 g/mol
LogP-0.71
Rot. Bonds1

About 4H-triazole-5-carboxamide

4H-triazole-5-carboxamide (PubChem CID 125415069) has the molecular formula C3H4N4O and a molecular weight of 112.09 g/mol. Its IUPAC name is 4H-triazole-5-carboxamide.

Molecular Properties

Compound Name4H-triazole-5-carboxamide
PubChem CID125415069
Molecular FormulaC3H4N4O
Molecular Weight112.09 g/mol
Exact Mass112.04
IUPAC Name4H-triazole-5-carboxamide
SMILESNC(=O)C1=NN=NC1
InChIInChI=1S/C3H4N4O/c4-3(8)2-1-5-7-6-2/h1H2,(H2,4,8)
InChIKeyCUFXNRJRBGDKAD-UHFFFAOYSA-N
XLogP-0.71
TPSA80.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4H-triazole-5-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

CID 53758225
CID 53758225
CID 129816140
CID 129816140
CID 53997045
CID 53997045
CID 91299609
CID 91299609

Frequently Asked Questions

What is the IUPAC name of 4H-triazole-5-carboxamide?
The IUPAC name of 4H-triazole-5-carboxamide (CID 125415069) is 4H-triazole-5-carboxamide.
What is the SMILES notation for 4H-triazole-5-carboxamide?
The canonical SMILES for 4H-triazole-5-carboxamide is NC(=O)C1=NN=NC1.
What is the InChIKey of 4H-triazole-5-carboxamide?
The InChIKey is CUFXNRJRBGDKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O/c4-3(8)2-1-5-7-6-2/h1H2,(H2,4,8).
What are the key properties of 4H-triazole-5-carboxamide?
4H-triazole-5-carboxamide has a molecular weight of 112.09 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-triazole-5-carboxamide is sourced from PubChem (CID 125415069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).