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

C12H18N6O2 — CID 106621154

IUPAC6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N(CCO)CC3CCCN3)nn12
InChIInChI=1S/C12H18N6O2/c19-7-6-17(8-9-2-1-5-13-9)11-4-3-10-14-15-12(20)18(10)16-11/h3-4,9,13,19H,1-2,5-8H2,(H,15,20)
InChIKeyAVKOBENNHOCMFK-UHFFFAOYSA-N
MW278.32 g/mol
LogP-1.03
Rot. Bonds5

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

6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 106621154) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID106621154
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N(CCO)CC3CCCN3)nn12
InChIInChI=1S/C12H18N6O2/c19-7-6-17(8-9-2-1-5-13-9)11-4-3-10-14-15-12(20)18(10)16-11/h3-4,9,13,19H,1-2,5-8H2,(H,15,20)
InChIKeyAVKOBENNHOCMFK-UHFFFAOYSA-N
XLogP-1.03
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)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-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 106621154) is 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(N(CCO)CC3CCCN3)nn12.
What is the InChIKey of 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is AVKOBENNHOCMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c19-7-6-17(8-9-2-1-5-13-9)11-4-3-10-14-15-12(20)18(10)16-11/h3-4,9,13,19H,1-2,5-8H2,(H,15,20).
What are the key properties of 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 278.32 g/mol, XLogP of -1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 106621154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).