2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one

C15H13N5O2 — CID 3007581

IUPAC2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESO=C(c1ccccn1)C(O)(Cn1cncn1)c1ccccn1
InChIInChI=1S/C15H13N5O2/c21-14(12-5-1-3-7-17-12)15(22,9-20-11-16-10-19-20)13-6-2-4-8-18-13/h1-8,10-11,22H,9H2
InChIKeyQKIHBOAEBBTGJI-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.84
Rot. Bonds5

About 2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one

2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 3007581) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID3007581
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESO=C(c1ccccn1)C(O)(Cn1cncn1)c1ccccn1
InChIInChI=1S/C15H13N5O2/c21-14(12-5-1-3-7-17-12)15(22,9-20-11-16-10-19-20)13-6-2-4-8-18-13/h1-8,10-11,22H,9H2
InChIKeyQKIHBOAEBBTGJI-UHFFFAOYSA-N
XLogP0.84
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-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 2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one (CID 3007581) is 2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one is O=C(c1ccccn1)C(O)(Cn1cncn1)c1ccccn1.
What is the InChIKey of 2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is QKIHBOAEBBTGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-14(12-5-1-3-7-17-12)15(22,9-20-11-16-10-19-20)13-6-2-4-8-18-13/h1-8,10-11,22H,9H2.
What are the key properties of 2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one?
2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 295.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-dipyridin-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 3007581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).