3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one

C13H15N3O — CID 14820815

IUPAC3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one
SMILESCCNc1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C13H15N3O/c1-3-14-13-12(17)9-10(2)16(15-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,14,15)
InChIKeyNPPQNLMIAIUGED-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.97
Rot. Bonds3

About 3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one

3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one (PubChem CID 14820815) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one.

Molecular Properties

Compound Name3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one
PubChem CID14820815
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one
SMILESCCNc1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C13H15N3O/c1-3-14-13-12(17)9-10(2)16(15-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,14,15)
InChIKeyNPPQNLMIAIUGED-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(ethylamino)-6-methyl-1-phenylpyridazin-4-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 3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one?
The IUPAC name of 3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one (CID 14820815) is 3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one.
What is the SMILES notation for 3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one?
The canonical SMILES for 3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one is CCNc1nn(-c2ccccc2)c(C)cc1=O.
What is the InChIKey of 3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one?
The InChIKey is NPPQNLMIAIUGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-14-13-12(17)9-10(2)16(15-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one?
3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one has a molecular weight of 229.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-methyl-1-phenylpyridazin-4-one is sourced from PubChem (CID 14820815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).