5-amino-4-pentyl-1H-pyridazin-6-one

C9H15N3O — CID 69019844

IUPAC5-amino-4-pentyl-1H-pyridazin-6-one
SMILESCCCCCc1cn[nH]c(=O)c1N
InChIInChI=1S/C9H15N3O/c1-2-3-4-5-7-6-11-12-9(13)8(7)10/h6H,2-5H2,1H3,(H2,10,11)(H,12,13)
InChIKeyUMNPTYWYMWHPTJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.08
Rot. Bonds4

About 5-amino-4-pentyl-1H-pyridazin-6-one

5-amino-4-pentyl-1H-pyridazin-6-one (PubChem CID 69019844) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-amino-4-pentyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-4-pentyl-1H-pyridazin-6-one
PubChem CID69019844
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-amino-4-pentyl-1H-pyridazin-6-one
SMILESCCCCCc1cn[nH]c(=O)c1N
InChIInChI=1S/C9H15N3O/c1-2-3-4-5-7-6-11-12-9(13)8(7)10/h6H,2-5H2,1H3,(H2,10,11)(H,12,13)
InChIKeyUMNPTYWYMWHPTJ-UHFFFAOYSA-N
XLogP1.08
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-pentyl-1H-pyridazin-6-one?
The IUPAC name of 5-amino-4-pentyl-1H-pyridazin-6-one (CID 69019844) is 5-amino-4-pentyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-4-pentyl-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-4-pentyl-1H-pyridazin-6-one is CCCCCc1cn[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-pentyl-1H-pyridazin-6-one?
The InChIKey is UMNPTYWYMWHPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-3-4-5-7-6-11-12-9(13)8(7)10/h6H,2-5H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of 5-amino-4-pentyl-1H-pyridazin-6-one?
5-amino-4-pentyl-1H-pyridazin-6-one has a molecular weight of 181.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-pentyl-1H-pyridazin-6-one is sourced from PubChem (CID 69019844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).