5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one

C7H6N4O — CID 86711193

IUPAC5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-n2cncn2)c[nH]1
InChIInChI=1S/C7H6N4O/c12-7-2-1-6(3-9-7)11-5-8-4-10-11/h1-5H,(H,9,12)
InChIKeyRBVACJNORIFHLY-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.04
Rot. Bonds1

About 5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one

5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one (PubChem CID 86711193) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one
PubChem CID86711193
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-n2cncn2)c[nH]1
InChIInChI=1S/C7H6N4O/c12-7-2-1-6(3-9-7)11-5-8-4-10-11/h1-5H,(H,9,12)
InChIKeyRBVACJNORIFHLY-UHFFFAOYSA-N
XLogP-0.04
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one (CID 86711193) is 5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one is O=c1ccc(-n2cncn2)c[nH]1.
What is the InChIKey of 5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The InChIKey is RBVACJNORIFHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c12-7-2-1-6(3-9-7)11-5-8-4-10-11/h1-5H,(H,9,12).
What are the key properties of 5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one?
5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one has a molecular weight of 162.15 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-triazol-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 86711193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).