2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one

C11H19N3O2 — CID 103219499

IUPAC2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-9(2)13-10-7-11(16)14(12-8-10)5-3-4-6-15/h7-9,13,15H,3-6H2,1-2H3
InChIKeyJJJFCPWOXIAANU-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.84
Rot. Bonds6

About 2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one

2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219499) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219499
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-9(2)13-10-7-11(16)14(12-8-10)5-3-4-6-15/h7-9,13,15H,3-6H2,1-2H3
InChIKeyJJJFCPWOXIAANU-UHFFFAOYSA-N
XLogP0.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one (CID 103219499) is 2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one is CC(C)Nc1cnn(CCCCO)c(=O)c1.
What is the InChIKey of 2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is JJJFCPWOXIAANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)13-10-7-11(16)14(12-8-10)5-3-4-6-15/h7-9,13,15H,3-6H2,1-2H3.
What are the key properties of 2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one?
2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).