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

C9H11F3N6O — CID 107494282

IUPAC6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNCCN(CC(F)(F)F)c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C9H11F3N6O/c10-9(11,12)5-17(4-3-13)7-2-1-6-14-15-8(19)18(6)16-7/h1-2H,3-5,13H2,(H,15,19)
InChIKeyHCFHXCNIAPIWFM-UHFFFAOYSA-N
MW276.22 g/mol
LogP-0.25
Rot. Bonds4

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

6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 107494282) has the molecular formula C9H11F3N6O and a molecular weight of 276.22 g/mol. Its IUPAC name is 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID107494282
Molecular FormulaC9H11F3N6O
Molecular Weight276.22 g/mol
Exact Mass276.09
IUPAC Name6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNCCN(CC(F)(F)F)c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C9H11F3N6O/c10-9(11,12)5-17(4-3-13)7-2-1-6-14-15-8(19)18(6)16-7/h1-2H,3-5,13H2,(H,15,19)
InChIKeyHCFHXCNIAPIWFM-UHFFFAOYSA-N
XLogP-0.25
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Related Compounds

6-(3,3,3-trifluoropropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283614
6-(2,2,2-trifluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283790
6-(4,4,4-trifluorobutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 80527567
6-(2,2-difluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 80527646
6-(4,4,4-trifluorobutan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 104854534
6-[2-bromoethyl(2,2-difluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 107489313
6-[2-bromoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 107490191
6-[2-chloroethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 107490488
7-[2-aminoethyl(2,2-difluoroethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 107494011
7-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 107494181
7-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 107494216
6-[(3-amino-2,2-difluoropropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113577840

Frequently Asked Questions

What is the IUPAC name of 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 107494282) is 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is NCCN(CC(F)(F)F)c1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is HCFHXCNIAPIWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N6O/c10-9(11,12)5-17(4-3-13)7-2-1-6-14-15-8(19)18(6)16-7/h1-2H,3-5,13H2,(H,15,19).
What are the key properties of 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 276.22 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 107494282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).