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

C9H13N5O3 — CID 21494315

IUPAC6-[bis(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N(CCO)CCO)nn12
InChIInChI=1S/C9H13N5O3/c15-5-3-13(4-6-16)8-2-1-7-10-11-9(17)14(7)12-8/h1-2,15-16H,3-6H2,(H,11,17)
InChIKeyGTHAPTPNGKSPJL-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.79
Rot. Bonds5

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

6-[bis(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 21494315) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 6-[bis(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[bis(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID21494315
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name6-[bis(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N(CCO)CCO)nn12
InChIInChI=1S/C9H13N5O3/c15-5-3-13(4-6-16)8-2-1-7-10-11-9(17)14(7)12-8/h1-2,15-16H,3-6H2,(H,11,17)
InChIKeyGTHAPTPNGKSPJL-UHFFFAOYSA-N
XLogP-1.79
TPSA106.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[bis(2-hydroxyethyl)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-[bis(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[bis(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 21494315) is 6-[bis(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[bis(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[bis(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(N(CCO)CCO)nn12.
What is the InChIKey of 6-[bis(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is GTHAPTPNGKSPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c15-5-3-13(4-6-16)8-2-1-7-10-11-9(17)14(7)12-8/h1-2,15-16H,3-6H2,(H,11,17).
What are the key properties of 6-[bis(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[bis(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 239.23 g/mol, XLogP of -1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 21494315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).