6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C9H14N6O2 — CID 66283630

IUPAC6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(O)C(N)CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C9H14N6O2/c1-5(16)6(10)4-11-7-2-3-8-12-13-9(17)15(8)14-7/h2-3,5-6,16H,4,10H2,1H3,(H,11,14)(H,13,17)
InChIKeyDLPMXRDIRJEZJZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.46
Rot. Bonds4

About 6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66283630) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66283630
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(O)C(N)CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C9H14N6O2/c1-5(16)6(10)4-11-7-2-3-8-12-13-9(17)15(8)14-7/h2-3,5-6,16H,4,10H2,1H3,(H,11,14)(H,13,17)
InChIKeyDLPMXRDIRJEZJZ-UHFFFAOYSA-N
XLogP-1.46
TPSA121.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]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 6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66283630) is 6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CC(O)C(N)CNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is DLPMXRDIRJEZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c1-5(16)6(10)4-11-7-2-3-8-12-13-9(17)15(8)14-7/h2-3,5-6,16H,4,10H2,1H3,(H,11,14)(H,13,17).
What are the key properties of 6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 238.25 g/mol, XLogP of -1.46, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-3-hydroxybutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66283630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).