2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide

C7H8N6O — CID 660439

IUPAC2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nn1cnnc1
InChIInChI=1S/C7H8N6O/c1-12-6(2-3-10-12)7(14)11-13-4-8-9-5-13/h2-5H,1H3,(H,11,14)
InChIKeyVKAQWDWGBVWSAT-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.60
Rot. Bonds2

About 2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide

2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide (PubChem CID 660439) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide
PubChem CID660439
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nn1cnnc1
InChIInChI=1S/C7H8N6O/c1-12-6(2-3-10-12)7(14)11-13-4-8-9-5-13/h2-5H,1H3,(H,11,14)
InChIKeyVKAQWDWGBVWSAT-UHFFFAOYSA-N
XLogP-0.60
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide (CID 660439) is 2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide is Cn1nccc1C(=O)Nn1cnnc1.
What is the InChIKey of 2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide?
The InChIKey is VKAQWDWGBVWSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c1-12-6(2-3-10-12)7(14)11-13-4-8-9-5-13/h2-5H,1H3,(H,11,14).
What are the key properties of 2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide?
2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide has a molecular weight of 192.18 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,4-triazol-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 660439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).