2-[3-(cyclopentylamino)propyl]pyridazin-3-one

C12H19N3O — CID 62851038

IUPAC2-[3-(cyclopentylamino)propyl]pyridazin-3-one
SMILESO=c1cccnn1CCCNC1CCCC1
InChIInChI=1S/C12H19N3O/c16-12-7-3-9-14-15(12)10-4-8-13-11-5-1-2-6-11/h3,7,9,11,13H,1-2,4-6,8,10H2
InChIKeyBOSPZBMIWUNGGP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.17
Rot. Bonds5

About 2-[3-(cyclopentylamino)propyl]pyridazin-3-one

2-[3-(cyclopentylamino)propyl]pyridazin-3-one (PubChem CID 62851038) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[3-(cyclopentylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[3-(cyclopentylamino)propyl]pyridazin-3-one
PubChem CID62851038
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[3-(cyclopentylamino)propyl]pyridazin-3-one
SMILESO=c1cccnn1CCCNC1CCCC1
InChIInChI=1S/C12H19N3O/c16-12-7-3-9-14-15(12)10-4-8-13-11-5-1-2-6-11/h3,7,9,11,13H,1-2,4-6,8,10H2
InChIKeyBOSPZBMIWUNGGP-UHFFFAOYSA-N
XLogP1.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.17
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

N-methyl-3-(6-oxopyridazin-1-yl)butanamide
CID 20300058
4-(6-oxopyridazin-1-yl)-N-propan-2-ylbutanamide
CID 59706137
2-(Piperidin-4-yl)-2,3-dihydropyridazin-3-one
CID 68874673
tert-butyl N-[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate
CID 90397902
2-[(1R,3R)-3-aminocyclopentyl]pyridazin-3-one
CID 90397911
2-(3-Aminocyclopentyl)pyridazin-3-one
CID 123158872
tert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate
CID 123977808
2-Cyclopentylpyridazin-3-one
CID 130841480
2-[(3R)-3-aminocyclopentyl]pyridazin-3-one
CID 144695318
2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid
CID 144695431
2-Hexan-2-ylpyridazin-3-one
CID 165135892
2-[2-(Heptan-2-ylamino)ethyl]pyridazin-3-one
CID 55126826

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylamino)propyl]pyridazin-3-one?
The IUPAC name of 2-[3-(cyclopentylamino)propyl]pyridazin-3-one (CID 62851038) is 2-[3-(cyclopentylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 2-[3-(cyclopentylamino)propyl]pyridazin-3-one?
The canonical SMILES for 2-[3-(cyclopentylamino)propyl]pyridazin-3-one is O=c1cccnn1CCCNC1CCCC1.
What is the InChIKey of 2-[3-(cyclopentylamino)propyl]pyridazin-3-one?
The InChIKey is BOSPZBMIWUNGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12-7-3-9-14-15(12)10-4-8-13-11-5-1-2-6-11/h3,7,9,11,13H,1-2,4-6,8,10H2.
What are the key properties of 2-[3-(cyclopentylamino)propyl]pyridazin-3-one?
2-[3-(cyclopentylamino)propyl]pyridazin-3-one has a molecular weight of 221.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 62851038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).