N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C4H6N4O2 — CID 137274277

IUPACN-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C4H6N4O2/c1-5-3(9)2-6-4(10)8-7-2/h1H3,(H,5,9)(H2,6,7,8,10)
InChIKeyOQJWPEZZFTWXPY-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.54
Rot. Bonds1

About N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 137274277) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID137274277
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC NameN-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C4H6N4O2/c1-5-3(9)2-6-4(10)8-7-2/h1H3,(H,5,9)(H2,6,7,8,10)
InChIKeyOQJWPEZZFTWXPY-UHFFFAOYSA-N
XLogP-1.54
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-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 N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 137274277) is N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CNC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is OQJWPEZZFTWXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-5-3(9)2-6-4(10)8-7-2/h1H3,(H,5,9)(H2,6,7,8,10).
What are the key properties of N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 142.12 g/mol, XLogP of -1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 137274277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).