N-oxo-2H-triazole-4-carboxamide

C3H2N4O2 — CID 54323987

IUPACN-oxo-2H-triazole-4-carboxamide
SMILESO=NC(=O)c1cn[nH]n1
InChIInChI=1S/C3H2N4O2/c8-3(6-9)2-1-4-7-5-2/h1H,(H,4,5,7)
InChIKeySTPVHQMXVBRHJL-UHFFFAOYSA-N
MW126.07 g/mol
LogP-0.29
Rot. Bonds1

About N-oxo-2H-triazole-4-carboxamide

N-oxo-2H-triazole-4-carboxamide (PubChem CID 54323987) has the molecular formula C3H2N4O2 and a molecular weight of 126.07 g/mol. Its IUPAC name is N-oxo-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-oxo-2H-triazole-4-carboxamide
PubChem CID54323987
Molecular FormulaC3H2N4O2
Molecular Weight126.07 g/mol
Exact Mass126.02
IUPAC NameN-oxo-2H-triazole-4-carboxamide
SMILESO=NC(=O)c1cn[nH]n1
InChIInChI=1S/C3H2N4O2/c8-3(6-9)2-1-4-7-5-2/h1H,(H,4,5,7)
InChIKeySTPVHQMXVBRHJL-UHFFFAOYSA-N
XLogP-0.29
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.07
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-oxo-2H-triazole-4-carboxamide?
The IUPAC name of N-oxo-2H-triazole-4-carboxamide (CID 54323987) is N-oxo-2H-triazole-4-carboxamide.
What is the SMILES notation for N-oxo-2H-triazole-4-carboxamide?
The canonical SMILES for N-oxo-2H-triazole-4-carboxamide is O=NC(=O)c1cn[nH]n1.
What is the InChIKey of N-oxo-2H-triazole-4-carboxamide?
The InChIKey is STPVHQMXVBRHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N4O2/c8-3(6-9)2-1-4-7-5-2/h1H,(H,4,5,7).
What are the key properties of N-oxo-2H-triazole-4-carboxamide?
N-oxo-2H-triazole-4-carboxamide has a molecular weight of 126.07 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxo-2H-triazole-4-carboxamide is sourced from PubChem (CID 54323987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).