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

C12H10FN5O — CID 66282043

IUPAC6-[(3-fluorophenyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCc3cccc(F)c3)nn12
InChIInChI=1S/C12H10FN5O/c13-9-3-1-2-8(6-9)7-14-10-4-5-11-15-16-12(19)18(11)17-10/h1-6H,7H2,(H,14,17)(H,16,19)
InChIKeyCEQSSRUSALSSNB-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.17
Rot. Bonds3

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

6-[(3-fluorophenyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282043) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282043
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name6-[(3-fluorophenyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCc3cccc(F)c3)nn12
InChIInChI=1S/C12H10FN5O/c13-9-3-1-2-8(6-9)7-14-10-4-5-11-15-16-12(19)18(11)17-10/h1-6H,7H2,(H,14,17)(H,16,19)
InChIKeyCEQSSRUSALSSNB-UHFFFAOYSA-N
XLogP1.17
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(3-fluorophenyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282043) is 6-[(3-fluorophenyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(3-fluorophenyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(3-fluorophenyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NCc3cccc(F)c3)nn12.
What is the InChIKey of 6-[(3-fluorophenyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is CEQSSRUSALSSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c13-9-3-1-2-8(6-9)7-14-10-4-5-11-15-16-12(19)18(11)17-10/h1-6H,7H2,(H,14,17)(H,16,19).
What are the key properties of 6-[(3-fluorophenyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(3-fluorophenyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 259.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).