2-(2-phenylethenyl)pyridazin-3-one

C12H10N2O — CID 123500512

IUPAC2-(2-phenylethenyl)pyridazin-3-one
SMILESO=c1cccnn1C=Cc1ccccc1
InChIInChI=1S/C12H10N2O/c15-12-7-4-9-13-14(12)10-8-11-5-2-1-3-6-11/h1-10H
InChIKeyMKKIKEOVNMJUIG-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.87
Rot. Bonds2

About 2-(2-phenylethenyl)pyridazin-3-one

2-(2-phenylethenyl)pyridazin-3-one (PubChem CID 123500512) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(2-phenylethenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-phenylethenyl)pyridazin-3-one
PubChem CID123500512
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name2-(2-phenylethenyl)pyridazin-3-one
SMILESO=c1cccnn1C=Cc1ccccc1
InChIInChI=1S/C12H10N2O/c15-12-7-4-9-13-14(12)10-8-11-5-2-1-3-6-11/h1-10H
InChIKeyMKKIKEOVNMJUIG-UHFFFAOYSA-N
XLogP1.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-phenylethenyl)pyridazin-3-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-phenylethenyl)pyridazin-3-one?
The IUPAC name of 2-(2-phenylethenyl)pyridazin-3-one (CID 123500512) is 2-(2-phenylethenyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-phenylethenyl)pyridazin-3-one?
The canonical SMILES for 2-(2-phenylethenyl)pyridazin-3-one is O=c1cccnn1C=Cc1ccccc1.
What is the InChIKey of 2-(2-phenylethenyl)pyridazin-3-one?
The InChIKey is MKKIKEOVNMJUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-12-7-4-9-13-14(12)10-8-11-5-2-1-3-6-11/h1-10H.
What are the key properties of 2-(2-phenylethenyl)pyridazin-3-one?
2-(2-phenylethenyl)pyridazin-3-one has a molecular weight of 198.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)pyridazin-3-one is sourced from PubChem (CID 123500512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).