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

C12H12N6O — CID 66282431

IUPAC6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCCc3cccnc3)nn12
InChIInChI=1S/C12H12N6O/c19-12-16-15-11-4-3-10(17-18(11)12)14-7-5-9-2-1-6-13-8-9/h1-4,6,8H,5,7H2,(H,14,17)(H,16,19)
InChIKeyCRBBKYVVWFCDOL-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.47
Rot. Bonds4

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

6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282431) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282431
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCCc3cccnc3)nn12
InChIInChI=1S/C12H12N6O/c19-12-16-15-11-4-3-10(17-18(11)12)14-7-5-9-2-1-6-13-8-9/h1-4,6,8H,5,7H2,(H,14,17)(H,16,19)
InChIKeyCRBBKYVVWFCDOL-UHFFFAOYSA-N
XLogP0.47
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Related Compounds

6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283792
6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282051
N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine
CID 58857796
6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103756503
N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide
CID 66283992
6-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283625
6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 21494313
6-(3-aminopentylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113498110
1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea
CID 83112049
N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857590
6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282429
5-phenyl-8-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 69483563

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282431) is 6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NCCc3cccnc3)nn12.
What is the InChIKey of 6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is CRBBKYVVWFCDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c19-12-16-15-11-4-3-10(17-18(11)12)14-7-5-9-2-1-6-13-8-9/h1-4,6,8H,5,7H2,(H,14,17)(H,16,19).
What are the key properties of 6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 256.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).