3-amino-4-cyclopentyl-1H-pyridazin-6-one

C9H13N3O — CID 83696027

IUPAC3-amino-4-cyclopentyl-1H-pyridazin-6-one
SMILESNc1n[nH]c(=O)cc1C1CCCC1
InChIInChI=1S/C9H13N3O/c10-9-7(5-8(13)11-12-9)6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,12)(H,11,13)
InChIKeyNTYJBFOPFUDGPB-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.01
Rot. Bonds1

About 3-amino-4-cyclopentyl-1H-pyridazin-6-one

3-amino-4-cyclopentyl-1H-pyridazin-6-one (PubChem CID 83696027) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-amino-4-cyclopentyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-amino-4-cyclopentyl-1H-pyridazin-6-one
PubChem CID83696027
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-amino-4-cyclopentyl-1H-pyridazin-6-one
SMILESNc1n[nH]c(=O)cc1C1CCCC1
InChIInChI=1S/C9H13N3O/c10-9-7(5-8(13)11-12-9)6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,12)(H,11,13)
InChIKeyNTYJBFOPFUDGPB-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

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Related Compounds

3-cyclopentyl-4-methyl-1H-pyridazin-6-one
CID 131701607
5-amino-3-cyclopentyl-1H-pyridazin-6-one
CID 117127183
5-amino-3-cyclopentyl-1H-pyridin-2-one
CID 172992509
4-cyclopentyl-5-methyl-1H-pyrazol-3-amine
CID 83815875
5-cycloheptyl-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine
CID 62586327
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
5-cyclopentyl-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829082
5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524682
3-cyclohexyl-5-methyl-1H-pyrazole;ethane
CID 144662747
5-cyclohexylpyrimidine-2,4-diamine
CID 23086329
5-cyclopentyl-2H-triazol-4-amine
CID 105429790
4-cyclopentyl-6-(4-methylphenyl)pyridine-2,3-diamine
CID 155102511

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopentyl-1H-pyridazin-6-one?
The IUPAC name of 3-amino-4-cyclopentyl-1H-pyridazin-6-one (CID 83696027) is 3-amino-4-cyclopentyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-amino-4-cyclopentyl-1H-pyridazin-6-one?
The canonical SMILES for 3-amino-4-cyclopentyl-1H-pyridazin-6-one is Nc1n[nH]c(=O)cc1C1CCCC1.
What is the InChIKey of 3-amino-4-cyclopentyl-1H-pyridazin-6-one?
The InChIKey is NTYJBFOPFUDGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9-7(5-8(13)11-12-9)6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,12)(H,11,13).
What are the key properties of 3-amino-4-cyclopentyl-1H-pyridazin-6-one?
3-amino-4-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 3-amino-4-cyclopentyl-1H-pyridazin-6-one is sourced from PubChem (CID 83696027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).