2-(3-aminocyclopentyl)pyridazin-3-one

C9H13N3O — CID 123158872

IUPAC2-(3-aminocyclopentyl)pyridazin-3-one
SMILESNC1CCC(n2ncccc2=O)C1
InChIInChI=1S/C9H13N3O/c10-7-3-4-8(6-7)12-9(13)2-1-5-11-12/h1-2,5,7-8H,3-4,6,10H2
InChIKeyXITLHTMKRPEGRB-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.30
Rot. Bonds1

About 2-(3-aminocyclopentyl)pyridazin-3-one

2-(3-aminocyclopentyl)pyridazin-3-one (PubChem CID 123158872) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(3-aminocyclopentyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-aminocyclopentyl)pyridazin-3-one
PubChem CID123158872
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(3-aminocyclopentyl)pyridazin-3-one
SMILESNC1CCC(n2ncccc2=O)C1
InChIInChI=1S/C9H13N3O/c10-7-3-4-8(6-7)12-9(13)2-1-5-11-12/h1-2,5,7-8H,3-4,6,10H2
InChIKeyXITLHTMKRPEGRB-UHFFFAOYSA-N
XLogP0.30
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Piperidin-4-yl)-2,3-dihydropyridazin-3-one
CID 68874673
2-[(1R,3R)-3-aminocyclopentyl]pyridazin-3-one
CID 90397911
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-(3-Aminopropyl)pyridazin-3-one
CID 33675839
2-[3-(Propylamino)butyl]pyridazin-3-one
CID 62848727
2-[3-(Methylamino)butyl]pyridazin-3-one
CID 62849068
2-[2-(Cyclopentylamino)ethyl]pyridazin-3-one
CID 62849272
2-[(Pyrrolidin-2-yl)methyl]-2,3-dihydropyridazin-3-one
CID 62849606
2-[4-(Propan-2-ylamino)butyl]pyridazin-3-one
CID 62849625
2-[4-(Cyclopropylamino)butyl]pyridazin-3-one
CID 62849626

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclopentyl)pyridazin-3-one?
The IUPAC name of 2-(3-aminocyclopentyl)pyridazin-3-one (CID 123158872) is 2-(3-aminocyclopentyl)pyridazin-3-one.
What is the SMILES notation for 2-(3-aminocyclopentyl)pyridazin-3-one?
The canonical SMILES for 2-(3-aminocyclopentyl)pyridazin-3-one is NC1CCC(n2ncccc2=O)C1.
What is the InChIKey of 2-(3-aminocyclopentyl)pyridazin-3-one?
The InChIKey is XITLHTMKRPEGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-7-3-4-8(6-7)12-9(13)2-1-5-11-12/h1-2,5,7-8H,3-4,6,10H2.
What are the key properties of 2-(3-aminocyclopentyl)pyridazin-3-one?
2-(3-aminocyclopentyl)pyridazin-3-one has a molecular weight of 179.22 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclopentyl)pyridazin-3-one is sourced from PubChem (CID 123158872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).