2-(2-aminopentyl)pyridazin-3-one

C9H15N3O — CID 62849776

IUPAC2-(2-aminopentyl)pyridazin-3-one
SMILESCCCC(N)Cn1ncccc1=O
InChIInChI=1S/C9H15N3O/c1-2-4-8(10)7-12-9(13)5-3-6-11-12/h3,5-6,8H,2,4,7,10H2,1H3
InChIKeyCMWJMPCZNUMQMP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.37
Rot. Bonds4

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

2-(2-aminopentyl)pyridazin-3-one (PubChem CID 62849776) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(2-aminopentyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminopentyl)pyridazin-3-one
PubChem CID62849776
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(2-aminopentyl)pyridazin-3-one
SMILESCCCC(N)Cn1ncccc1=O
InChIInChI=1S/C9H15N3O/c1-2-4-8(10)7-12-9(13)5-3-6-11-12/h3,5-6,8H,2,4,7,10H2,1H3
InChIKeyCMWJMPCZNUMQMP-UHFFFAOYSA-N
XLogP0.37
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopentyl)pyridazin-3-one?
The IUPAC name of 2-(2-aminopentyl)pyridazin-3-one (CID 62849776) is 2-(2-aminopentyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-aminopentyl)pyridazin-3-one?
The canonical SMILES for 2-(2-aminopentyl)pyridazin-3-one is CCCC(N)Cn1ncccc1=O.
What is the InChIKey of 2-(2-aminopentyl)pyridazin-3-one?
The InChIKey is CMWJMPCZNUMQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-4-8(10)7-12-9(13)5-3-6-11-12/h3,5-6,8H,2,4,7,10H2,1H3.
What are the key properties of 2-(2-aminopentyl)pyridazin-3-one?
2-(2-aminopentyl)pyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopentyl)pyridazin-3-one is sourced from PubChem (CID 62849776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).