4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one

C12H16ClN3O — CID 114442196

IUPAC4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(NC2CC=CC2)c(Cl)c1=O
InChIInChI=1S/C12H16ClN3O/c1-8(2)16-12(17)11(13)10(7-14-16)15-9-5-3-4-6-9/h3-4,7-9,15H,5-6H2,1-2H3
InChIKeyISIPCENASAWQGQ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.61
Rot. Bonds3

About 4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one

4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one (PubChem CID 114442196) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one
PubChem CID114442196
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(NC2CC=CC2)c(Cl)c1=O
InChIInChI=1S/C12H16ClN3O/c1-8(2)16-12(17)11(13)10(7-14-16)15-9-5-3-4-6-9/h3-4,7-9,15H,5-6H2,1-2H3
InChIKeyISIPCENASAWQGQ-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one 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

4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one
CID 114431188
4-chloro-5-[(1-oxothian-4-yl)amino]-2-propan-2-ylpyridazin-3-one
CID 114442369
4-chloro-2-propan-2-yl-5-(thian-3-ylamino)pyridazin-3-one
CID 114442995
4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-propan-2-ylpyridazin-3-one
CID 114439128
4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one
CID 104922053
4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one
CID 114431553
5-(butylamino)-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114432150
4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-propan-2-ylpyridazin-3-one
CID 114438367
4-chloro-5-[1-(oxolan-3-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114443415
4-chloro-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114433352
4-bromo-5-[[4-(methylamino)cyclohexyl]amino]-2-propan-2-ylpyridazin-3-one
CID 114446257
4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one
CID 114431888

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one (CID 114442196) is 4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one is CC(C)n1ncc(NC2CC=CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one?
The InChIKey is ISIPCENASAWQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8(2)16-12(17)11(13)10(7-14-16)15-9-5-3-4-6-9/h3-4,7-9,15H,5-6H2,1-2H3.
What are the key properties of 4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one?
4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one has a molecular weight of 253.73 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 114442196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).