1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one

C13H11N5O — CID 129044144

IUPAC1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(Nc2ncn[nH]2)cc1
InChIInChI=1S/C13H11N5O/c19-12-3-1-2-8-18(12)11-6-4-10(5-7-11)16-13-14-9-15-17-13/h1-9H,(H2,14,15,16,17)
InChIKeyZPUVVHIWWQTPMB-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.70
Rot. Bonds3

About 1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one

1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one (PubChem CID 129044144) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one
PubChem CID129044144
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(Nc2ncn[nH]2)cc1
InChIInChI=1S/C13H11N5O/c19-12-3-1-2-8-18(12)11-6-4-10(5-7-11)16-13-14-9-15-17-13/h1-9H,(H2,14,15,16,17)
InChIKeyZPUVVHIWWQTPMB-UHFFFAOYSA-N
XLogP1.70
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one 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 1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one?
The IUPAC name of 1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one (CID 129044144) is 1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one?
The canonical SMILES for 1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one is O=c1ccccn1-c1ccc(Nc2ncn[nH]2)cc1.
What is the InChIKey of 1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one?
The InChIKey is ZPUVVHIWWQTPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c19-12-3-1-2-8-18(12)11-6-4-10(5-7-11)16-13-14-9-15-17-13/h1-9H,(H2,14,15,16,17).
What are the key properties of 1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one?
1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one has a molecular weight of 253.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-1,2,4-triazol-5-ylamino)phenyl]pyridin-2-one is sourced from PubChem (CID 129044144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).