4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one

C13H15N3O — CID 82444722

IUPAC4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one
SMILESCCn1nc(-c2ccccc2)cc(CN)c1=O
InChIInChI=1S/C13H15N3O/c1-2-16-13(17)11(9-14)8-12(15-16)10-6-4-3-5-7-10/h3-8H,2,9,14H2,1H3
InChIKeyHVSAJTJQANZSRT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.39
Rot. Bonds3

About 4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one

4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one (PubChem CID 82444722) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one
PubChem CID82444722
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one
SMILESCCn1nc(-c2ccccc2)cc(CN)c1=O
InChIInChI=1S/C13H15N3O/c1-2-16-13(17)11(9-14)8-12(15-16)10-6-4-3-5-7-10/h3-8H,2,9,14H2,1H3
InChIKeyHVSAJTJQANZSRT-UHFFFAOYSA-N
XLogP1.39
TPSA60.91 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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3,5-diphenylpyrazole
CID 12665793
6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one
CID 82444930
5-(aminomethyl)-3-phenyl-1H-pyridazin-6-one
CID 82445397
4-(aminomethyl)-6-(3-propan-2-yloxyphenyl)-2-propylpyridazin-3-one
CID 82446845
3-[2-ethyl-6-(4-methylphenyl)-3-oxopyridazin-4-yl]propanoic acid
CID 82444762
4-[(2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]benzonitrile
CID 11162871
4-(chloromethyl)-2-ethyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82445160
4-(aminomethyl)-2-ethylphthalazin-1-one
CID 819195
2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one
CID 20533850
4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one
CID 82446587
4-(aminomethyl)-2-butyl-6-(2,5-dimethylphenyl)pyridazin-3-one
CID 82447107
2-[6-(3,4-dimethylphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444849

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one?
The IUPAC name of 4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one (CID 82444722) is 4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one.
What is the SMILES notation for 4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one?
The canonical SMILES for 4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one is CCn1nc(-c2ccccc2)cc(CN)c1=O.
What is the InChIKey of 4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one?
The InChIKey is HVSAJTJQANZSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-16-13(17)11(9-14)8-12(15-16)10-6-4-3-5-7-10/h3-8H,2,9,14H2,1H3.
What are the key properties of 4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one?
4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one has a molecular weight of 229.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one is sourced from PubChem (CID 82444722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).