2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one

C15H19N3O — CID 13103478

IUPAC2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one
SMILESCNCCCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C15H19N3O/c1-16-11-5-6-12-18-15(19)10-9-14(17-18)13-7-3-2-4-8-13/h2-4,7-10,16H,5-6,11-12H2,1H3
InChIKeyBOZDYVPGSNKIOO-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.91
Rot. Bonds6

About 2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one

2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one (PubChem CID 13103478) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one
PubChem CID13103478
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one
SMILESCNCCCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C15H19N3O/c1-16-11-5-6-12-18-15(19)10-9-14(17-18)13-7-3-2-4-8-13/h2-4,7-10,16H,5-6,11-12H2,1H3
InChIKeyBOZDYVPGSNKIOO-UHFFFAOYSA-N
XLogP1.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea
CID 71317801
1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea
CID 71317796
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
3-[5-(6-oxo-3-phenylpyridazin-1-yl)pentyl]-1,1-diphenylurea
CID 13412588
2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one
CID 95122748
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884468
1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea
CID 13412562
2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one
CID 16884527
N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 91061296
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one (CID 13103478) is 2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one is CNCCCCn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one?
The InChIKey is BOZDYVPGSNKIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-11-5-6-12-18-15(19)10-9-14(17-18)13-7-3-2-4-8-13/h2-4,7-10,16H,5-6,11-12H2,1H3.
What are the key properties of 2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one?
2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one has a molecular weight of 257.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 13103478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).