(3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone

C12H8FN5O2 — CID 8006556

IUPAC(3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESNc1nnc2cc(C(=O)c3cc(F)ccc3O)cnn12
InChIInChI=1S/C12H8FN5O2/c13-7-1-2-9(19)8(4-7)11(20)6-3-10-16-17-12(14)18(10)15-5-6/h1-5,19H,(H2,14,17)
InChIKeyJUBYZLYOECQXOD-UHFFFAOYSA-N
MW273.23 g/mol
LogP0.78
Rot. Bonds2

About (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone

(3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 8006556) has the molecular formula C12H8FN5O2 and a molecular weight of 273.23 g/mol. Its IUPAC name is (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID8006556
Molecular FormulaC12H8FN5O2
Molecular Weight273.23 g/mol
Exact Mass273.07
IUPAC Name(3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESNc1nnc2cc(C(=O)c3cc(F)ccc3O)cnn12
InChIInChI=1S/C12H8FN5O2/c13-7-1-2-9(19)8(4-7)11(20)6-3-10-16-17-12(14)18(10)15-5-6/h1-5,19H,(H2,14,17)
InChIKeyJUBYZLYOECQXOD-UHFFFAOYSA-N
XLogP0.78
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone (CID 8006556) is (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone is Nc1nnc2cc(C(=O)c3cc(F)ccc3O)cnn12.
What is the InChIKey of (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is JUBYZLYOECQXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5O2/c13-7-1-2-9(19)8(4-7)11(20)6-3-10-16-17-12(14)18(10)15-5-6/h1-5,19H,(H2,14,17).
What are the key properties of (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
(3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 273.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 8006556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).