5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one

C16H14N4O2 — CID 118715638

IUPAC5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESCOc1ccc(Nc2cc(-c3ccncc3)n[nH]c2=O)cc1
InChIInChI=1S/C16H14N4O2/c1-22-13-4-2-12(3-5-13)18-15-10-14(19-20-16(15)21)11-6-8-17-9-7-11/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyPWGYOOFZRYVRNQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.58
Rot. Bonds4

About 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one

5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one (PubChem CID 118715638) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one
PubChem CID118715638
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESCOc1ccc(Nc2cc(-c3ccncc3)n[nH]c2=O)cc1
InChIInChI=1S/C16H14N4O2/c1-22-13-4-2-12(3-5-13)18-15-10-14(19-20-16(15)21)11-6-8-17-9-7-11/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyPWGYOOFZRYVRNQ-UHFFFAOYSA-N
XLogP2.58
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-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 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one?
The IUPAC name of 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one (CID 118715638) is 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one is COc1ccc(Nc2cc(-c3ccncc3)n[nH]c2=O)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one?
The InChIKey is PWGYOOFZRYVRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-13-4-2-12(3-5-13)18-15-10-14(19-20-16(15)21)11-6-8-17-9-7-11/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one?
5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one has a molecular weight of 294.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyanilino)-3-pyridin-4-yl-1H-pyridazin-6-one is sourced from PubChem (CID 118715638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).