2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one

C15H13N3O2 — CID 10107021

IUPAC2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2cccnc2)nn1CCO
InChIInChI=1S/C15H13N3O2/c19-9-8-18-15(20)13-6-2-1-5-12(13)14(17-18)11-4-3-7-16-10-11/h1-7,10,19H,8-9H2
InChIKeyOUSPYQKGERWIMJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.45
Rot. Bonds3

About 2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one

2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one (PubChem CID 10107021) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one
PubChem CID10107021
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2cccnc2)nn1CCO
InChIInChI=1S/C15H13N3O2/c19-9-8-18-15(20)13-6-2-1-5-12(13)14(17-18)11-4-3-7-16-10-11/h1-7,10,19H,8-9H2
InChIKeyOUSPYQKGERWIMJ-UHFFFAOYSA-N
XLogP1.45
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-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-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one?
The IUPAC name of 2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one (CID 10107021) is 2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one?
The canonical SMILES for 2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one is O=c1c2ccccc2c(-c2cccnc2)nn1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one?
The InChIKey is OUSPYQKGERWIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-9-8-18-15(20)13-6-2-1-5-12(13)14(17-18)11-4-3-7-16-10-11/h1-7,10,19H,8-9H2.
What are the key properties of 2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one?
2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one has a molecular weight of 267.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4-pyridin-3-ylphthalazin-1-one is sourced from PubChem (CID 10107021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).