2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one

C11H19N3O2 — CID 103219473

IUPAC2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(CO)Cn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-8(2)13-10-4-11(16)14(12-5-10)6-9(3)7-15/h4-5,8-9,13,15H,6-7H2,1-3H3
InChIKeyQZKXBWAETVCONN-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.69
Rot. Bonds5

About 2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one

2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219473) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219473
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(CO)Cn1ncc(NC(C)C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-8(2)13-10-4-11(16)14(12-5-10)6-9(3)7-15/h4-5,8-9,13,15H,6-7H2,1-3H3
InChIKeyQZKXBWAETVCONN-UHFFFAOYSA-N
XLogP0.69
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one (CID 103219473) is 2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one is CC(CO)Cn1ncc(NC(C)C)cc1=O.
What is the InChIKey of 2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is QZKXBWAETVCONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)13-10-4-11(16)14(12-5-10)6-9(3)7-15/h4-5,8-9,13,15H,6-7H2,1-3H3.
What are the key properties of 2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one?
2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).