4-pyridin-2-yl-2H-phthalazin-1-one

C13H9N3O — CID 10376295

IUPAC4-pyridin-2-yl-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2ccccn2)c2ccccc12
InChIInChI=1S/C13H9N3O/c17-13-10-6-2-1-5-9(10)12(15-16-13)11-7-3-4-8-14-11/h1-8H,(H,16,17)
InChIKeyLDHCZALTCKIBEO-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.99
Rot. Bonds1

About 4-pyridin-2-yl-2H-phthalazin-1-one

4-pyridin-2-yl-2H-phthalazin-1-one (PubChem CID 10376295) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 4-pyridin-2-yl-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-pyridin-2-yl-2H-phthalazin-1-one
PubChem CID10376295
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name4-pyridin-2-yl-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2ccccn2)c2ccccc12
InChIInChI=1S/C13H9N3O/c17-13-10-6-2-1-5-9(10)12(15-16-13)11-7-3-4-8-14-11/h1-8H,(H,16,17)
InChIKeyLDHCZALTCKIBEO-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-pyridin-2-yl-2H-phthalazin-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 4-pyridin-2-yl-2H-phthalazin-1-one?
The IUPAC name of 4-pyridin-2-yl-2H-phthalazin-1-one (CID 10376295) is 4-pyridin-2-yl-2H-phthalazin-1-one.
What is the SMILES notation for 4-pyridin-2-yl-2H-phthalazin-1-one?
The canonical SMILES for 4-pyridin-2-yl-2H-phthalazin-1-one is O=c1[nH]nc(-c2ccccn2)c2ccccc12.
What is the InChIKey of 4-pyridin-2-yl-2H-phthalazin-1-one?
The InChIKey is LDHCZALTCKIBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-13-10-6-2-1-5-9(10)12(15-16-13)11-7-3-4-8-14-11/h1-8H,(H,16,17).
What are the key properties of 4-pyridin-2-yl-2H-phthalazin-1-one?
4-pyridin-2-yl-2H-phthalazin-1-one has a molecular weight of 223.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-2H-phthalazin-1-one is sourced from PubChem (CID 10376295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).