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

C7H7F2N5O — CID 80527646

IUPAC6-(2,2-difluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCC(F)F)nn12
InChIInChI=1S/C7H7F2N5O/c8-4(9)3-10-5-1-2-6-11-12-7(15)14(6)13-5/h1-2,4H,3H2,(H,10,13)(H,12,15)
InChIKeyYJCFHTOEFPYYHR-UHFFFAOYSA-N
MW215.16 g/mol
LogP0.09
Rot. Bonds3

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

6-(2,2-difluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 80527646) has the molecular formula C7H7F2N5O and a molecular weight of 215.16 g/mol. Its IUPAC name is 6-(2,2-difluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2,2-difluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID80527646
Molecular FormulaC7H7F2N5O
Molecular Weight215.16 g/mol
Exact Mass215.06
IUPAC Name6-(2,2-difluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCC(F)F)nn12
InChIInChI=1S/C7H7F2N5O/c8-4(9)3-10-5-1-2-6-11-12-7(15)14(6)13-5/h1-2,4H,3H2,(H,10,13)(H,12,15)
InChIKeyYJCFHTOEFPYYHR-UHFFFAOYSA-N
XLogP0.09
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(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-aminoethyl(2,2,2-trifluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 107494282
6-[(3-amino-2,2-difluoropropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113577840
6-[2-(trifluoromethylsulfanyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113739059
6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113966319
6-(2,2,3,3-tetrafluoropropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 114169549
6-(5,5,5-trifluoropentylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 115486623

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2,2-difluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 80527646) is 6-(2,2-difluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2,2-difluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2,2-difluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NCC(F)F)nn12.
What is the InChIKey of 6-(2,2-difluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is YJCFHTOEFPYYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N5O/c8-4(9)3-10-5-1-2-6-11-12-7(15)14(6)13-5/h1-2,4H,3H2,(H,10,13)(H,12,15).
What are the key properties of 6-(2,2-difluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2,2-difluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 215.16 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 80527646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).