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

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633
3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one
CID 82419803
3-(6-methyl-4-oxo-1-phenylpyridazin-3-yl)propanoic acid
CID 82419815
N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8565302
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27666115
5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole
CID 71416942
6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid
CID 43154901
N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 111115964
methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate
CID 102808113
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9090833
N-(3-aminopropyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide;hydrochloride
CID 119406647

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).