3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine

C19H13N5 — CID 10470703

IUPAC3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine
SMILESc1ccc(-c2cc(-c3ccnc(-c4ccncc4)n3)cnn2)cc1
InChIInChI=1S/C19H13N5/c1-2-4-14(5-3-1)18-12-16(13-22-24-18)17-8-11-21-19(23-17)15-6-9-20-10-7-15/h1-13H
InChIKeyLWWWGLNBPILIGM-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.66
Rot. Bonds3

About 3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine

3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine (PubChem CID 10470703) has the molecular formula C19H13N5 and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine.

Molecular Properties

Compound Name3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine
PubChem CID10470703
Molecular FormulaC19H13N5
Molecular Weight311.35 g/mol
Exact Mass311.12
IUPAC Name3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine
SMILESc1ccc(-c2cc(-c3ccnc(-c4ccncc4)n3)cnn2)cc1
InChIInChI=1S/C19H13N5/c1-2-4-14(5-3-1)18-12-16(13-22-24-18)17-8-11-21-19(23-17)15-6-9-20-10-7-15/h1-13H
InChIKeyLWWWGLNBPILIGM-UHFFFAOYSA-N
XLogP3.66
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine 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 3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine?
The IUPAC name of 3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine (CID 10470703) is 3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine.
What is the SMILES notation for 3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine?
The canonical SMILES for 3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine is c1ccc(-c2cc(-c3ccnc(-c4ccncc4)n3)cnn2)cc1.
What is the InChIKey of 3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine?
The InChIKey is LWWWGLNBPILIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5/c1-2-4-14(5-3-1)18-12-16(13-22-24-18)17-8-11-21-19(23-17)15-6-9-20-10-7-15/h1-13H.
What are the key properties of 3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine?
3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine has a molecular weight of 311.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(2-pyridin-4-ylpyrimidin-4-yl)pyridazine is sourced from PubChem (CID 10470703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).