5-amino-3-cyclopentyl-1H-pyridazin-6-one

C9H13N3O — CID 117127183

IUPAC5-amino-3-cyclopentyl-1H-pyridazin-6-one
SMILESNc1cc(C2CCCC2)n[nH]c1=O
InChIInChI=1S/C9H13N3O/c10-7-5-8(11-12-9(7)13)6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,11)(H,12,13)
InChIKeyBPNDJZGBHCKYTI-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.01
Rot. Bonds1

About 5-amino-3-cyclopentyl-1H-pyridazin-6-one

5-amino-3-cyclopentyl-1H-pyridazin-6-one (PubChem CID 117127183) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-amino-3-cyclopentyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-3-cyclopentyl-1H-pyridazin-6-one
PubChem CID117127183
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-amino-3-cyclopentyl-1H-pyridazin-6-one
SMILESNc1cc(C2CCCC2)n[nH]c1=O
InChIInChI=1S/C9H13N3O/c10-7-5-8(11-12-9(7)13)6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,11)(H,12,13)
InChIKeyBPNDJZGBHCKYTI-UHFFFAOYSA-N
XLogP1.01
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-3-cyclopentyl-1H-pyridazin-6-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

5-amino-3-(thian-2-yl)-1H-pyridazin-6-one
CID 117105848
5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one
CID 117105901
3-amino-4-cyclopentyl-1H-pyridazin-6-one
CID 83696027
3-cyclohexyl-5-methyl-1H-pyrazole;ethane
CID 144662747
5-amino-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106006
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate
CID 121205225
5-amino-3-(bromomethyl)-1H-pyridazin-6-one
CID 177332380
5-chloro-3-(1-methylpiperidin-4-yl)-1H-pyridazin-6-one
CID 117105191
5-amino-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyridazin-6-one
CID 117105458
4-cyclopentyl-2H-phthalazin-1-one
CID 852172
5-bromo-3-(thian-2-yl)-1H-pyridazin-6-one
CID 117105856

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclopentyl-1H-pyridazin-6-one?
The IUPAC name of 5-amino-3-cyclopentyl-1H-pyridazin-6-one (CID 117127183) is 5-amino-3-cyclopentyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-3-cyclopentyl-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-3-cyclopentyl-1H-pyridazin-6-one is Nc1cc(C2CCCC2)n[nH]c1=O.
What is the InChIKey of 5-amino-3-cyclopentyl-1H-pyridazin-6-one?
The InChIKey is BPNDJZGBHCKYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-7-5-8(11-12-9(7)13)6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,11)(H,12,13).
What are the key properties of 5-amino-3-cyclopentyl-1H-pyridazin-6-one?
5-amino-3-cyclopentyl-1H-pyridazin-6-one has a molecular weight of 179.22 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclopentyl-1H-pyridazin-6-one is sourced from PubChem (CID 117127183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).