5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide

C3H3ClN4O2 — CID 52996917

IUPAC5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(NO)c1n[nH]c(Cl)n1
InChIInChI=1S/C3H3ClN4O2/c4-3-5-1(6-7-3)2(9)8-10/h10H,(H,8,9)(H,5,6,7)
InChIKeyFUHUDBAMAQACLV-UHFFFAOYSA-N
MW162.54 g/mol
LogP-0.42
Rot. Bonds1

About 5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide

5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide (PubChem CID 52996917) has the molecular formula C3H3ClN4O2 and a molecular weight of 162.54 g/mol. Its IUPAC name is 5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide
PubChem CID52996917
Molecular FormulaC3H3ClN4O2
Molecular Weight162.54 g/mol
Exact Mass161.99
IUPAC Name5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(NO)c1n[nH]c(Cl)n1
InChIInChI=1S/C3H3ClN4O2/c4-3-5-1(6-7-3)2(9)8-10/h10H,(H,8,9)(H,5,6,7)
InChIKeyFUHUDBAMAQACLV-UHFFFAOYSA-N
XLogP-0.42
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.54
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide (CID 52996917) is 5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide is O=C(NO)c1n[nH]c(Cl)n1.
What is the InChIKey of 5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is FUHUDBAMAQACLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClN4O2/c4-3-5-1(6-7-3)2(9)8-10/h10H,(H,8,9)(H,5,6,7).
What are the key properties of 5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide?
5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 162.54 g/mol, XLogP of -0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hydroxy-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 52996917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).