2H-triazole-4-carboxamide

C3H4N4O — CID 13388323

IUPAC2H-triazole-4-carboxamide
SMILESNC(=O)c1cn[nH]n1
InChIInChI=1S/C3H4N4O/c4-3(8)2-1-5-7-6-2/h1H,(H2,4,8)(H,5,6,7)
InChIKeyOSKSVLBJJXQUPI-UHFFFAOYSA-N
MW112.09 g/mol
LogP-1.10
Rot. Bonds1

About 2H-triazole-4-carboxamide

2H-triazole-4-carboxamide (PubChem CID 13388323) has the molecular formula C3H4N4O and a molecular weight of 112.09 g/mol. Its IUPAC name is 2H-triazole-4-carboxamide.

Molecular Properties

Compound Name2H-triazole-4-carboxamide
PubChem CID13388323
Molecular FormulaC3H4N4O
Molecular Weight112.09 g/mol
Exact Mass112.04
IUPAC Name2H-triazole-4-carboxamide
SMILESNC(=O)c1cn[nH]n1
InChIInChI=1S/C3H4N4O/c4-3(8)2-1-5-7-6-2/h1H,(H2,4,8)(H,5,6,7)
InChIKeyOSKSVLBJJXQUPI-UHFFFAOYSA-N
XLogP-1.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 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-methyl-1H-1,2,3-triazole-4-carboxamide
CID 53678135
1-methyl-1H-1,2,3-triazole-5-carbohydrazide
CID 165999707
N'-propan-2-yl-2H-triazole-4-carbohydrazide
CID 90679864
2H-1,2,3-Triazole-4-carbohydrazide
CID 50989778
Tetrazine-amide
CID 67129373
Triazole-carbonyl azide
CID 80497581
1,2,5-Thiadiazole-3-carbonyl azide
CID 129664005
2H-triazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 69455099
N-(trifluoromethyl)-2H-triazole-4-carboxamide
CID 69627948
1-Fluorotriazole-4-carboxamide
CID 89131273
2-(3,3,3-Trifluoropropyl)triazole-4-carboxamide
CID 168153939
(2H-triazole-4-carbonylamino) 2,2,2-trifluoroacetate
CID 175422265

Frequently Asked Questions

What is the IUPAC name of 2H-triazole-4-carboxamide?
The IUPAC name of 2H-triazole-4-carboxamide (CID 13388323) is 2H-triazole-4-carboxamide.
What is the SMILES notation for 2H-triazole-4-carboxamide?
The canonical SMILES for 2H-triazole-4-carboxamide is NC(=O)c1cn[nH]n1.
What is the InChIKey of 2H-triazole-4-carboxamide?
The InChIKey is OSKSVLBJJXQUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O/c4-3(8)2-1-5-7-6-2/h1H,(H2,4,8)(H,5,6,7).
What are the key properties of 2H-triazole-4-carboxamide?
2H-triazole-4-carboxamide has a molecular weight of 112.09 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazole-4-carboxamide is sourced from PubChem (CID 13388323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).