1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea

C18H24N4O2 — CID 71317796

IUPAC1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea
SMILESCCCCNC(=O)NCCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C18H24N4O2/c1-2-3-12-19-18(24)20-13-7-14-22-17(23)11-10-16(21-22)15-8-5-4-6-9-15/h4-6,8-11H,2-3,7,12-14H2,1H3,(H2,19,20,24)
InChIKeyCGMZBXLXVYYATA-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.40
Rot. Bonds8

About 1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea

1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea (PubChem CID 71317796) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea
PubChem CID71317796
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea
SMILESCCCCNC(=O)NCCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C18H24N4O2/c1-2-3-12-19-18(24)20-13-7-14-22-17(23)11-10-16(21-22)15-8-5-4-6-9-15/h4-6,8-11H,2-3,7,12-14H2,1H3,(H2,19,20,24)
InChIKeyCGMZBXLXVYYATA-UHFFFAOYSA-N
XLogP2.40
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea
CID 71317801
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one
CID 13103478
3-[5-(6-oxo-3-phenylpyridazin-1-yl)pentyl]-1,1-diphenylurea
CID 13412588
1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea
CID 13412562
1-benzyl-3-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]ethyl]urea
CID 42109840
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-2-phenoxyacetamide
CID 42138740
1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea
CID 12902608
2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one
CID 95122748
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569617

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea?
The IUPAC name of 1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea (CID 71317796) is 1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea.
What is the SMILES notation for 1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea?
The canonical SMILES for 1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea is CCCCNC(=O)NCCCn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea?
The InChIKey is CGMZBXLXVYYATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-3-12-19-18(24)20-13-7-14-22-17(23)11-10-16(21-22)15-8-5-4-6-9-15/h4-6,8-11H,2-3,7,12-14H2,1H3,(H2,19,20,24).
What are the key properties of 1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea?
1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea is sourced from PubChem (CID 71317796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).