2-pentyl-5-(propan-2-ylamino)pyridazin-3-one

C12H21N3O — CID 103219492

IUPAC2-pentyl-5-(propan-2-ylamino)pyridazin-3-one
SMILESCCCCCn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C12H21N3O/c1-4-5-6-7-15-12(16)8-11(9-13-15)14-10(2)3/h8-10,14H,4-7H2,1-3H3
InChIKeyXKYNZNXJYXUQJB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.25
Rot. Bonds6

About 2-pentyl-5-(propan-2-ylamino)pyridazin-3-one

2-pentyl-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219492) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-pentyl-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-pentyl-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219492
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-pentyl-5-(propan-2-ylamino)pyridazin-3-one
SMILESCCCCCn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C12H21N3O/c1-4-5-6-7-15-12(16)8-11(9-13-15)14-10(2)3/h8-10,14H,4-7H2,1-3H3
InChIKeyXKYNZNXJYXUQJB-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-pentyl-5-(propan-2-ylamino)pyridazin-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

2-(3-methylsulfanylpropyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219466
5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
CID 103219386
5-(cyclobutylamino)-2-nonylpyridazin-3-one
CID 103220396
2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223613
2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
CID 103219479
2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one
CID 107914573
2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219554
N-cyclohexyl-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
CID 103219584
2-(3-ethylsulfanylpropyl)-5-(2-methylpropylamino)pyridazin-3-one
CID 103221727
5-(methylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218528
2-ethyl-5-(methylamino)pyridazin-3-one
CID 103218572
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-pentyl-5-(propan-2-ylamino)pyridazin-3-one (CID 103219492) is 2-pentyl-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-pentyl-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-pentyl-5-(propan-2-ylamino)pyridazin-3-one is CCCCCn1ncc(NC(C)C)cc1=O.
What is the InChIKey of 2-pentyl-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is XKYNZNXJYXUQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-6-7-15-12(16)8-11(9-13-15)14-10(2)3/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 2-pentyl-5-(propan-2-ylamino)pyridazin-3-one?
2-pentyl-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).