3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide

C10H10F3N5O2 — CID 121181887

IUPAC3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide
SMILESCOc1ccc2nnc(CNC(=O)CC(F)(F)F)n2n1
InChIInChI=1S/C10H10F3N5O2/c1-20-9-3-2-6-15-16-7(18(6)17-9)5-14-8(19)4-10(11,12)13/h2-3H,4-5H2,1H3,(H,14,19)
InChIKeyFHBHJFAXFIIVGJ-UHFFFAOYSA-N
MW289.22 g/mol
LogP0.70
Rot. Bonds4

About 3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide

3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide (PubChem CID 121181887) has the molecular formula C10H10F3N5O2 and a molecular weight of 289.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide
PubChem CID121181887
Molecular FormulaC10H10F3N5O2
Molecular Weight289.22 g/mol
Exact Mass289.08
IUPAC Name3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide
SMILESCOc1ccc2nnc(CNC(=O)CC(F)(F)F)n2n1
InChIInChI=1S/C10H10F3N5O2/c1-20-9-3-2-6-15-16-7(18(6)17-9)5-14-8(19)4-10(11,12)13/h2-3H,4-5H2,1H3,(H,14,19)
InChIKeyFHBHJFAXFIIVGJ-UHFFFAOYSA-N
XLogP0.70
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide (CID 121181887) is 3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide is COc1ccc2nnc(CNC(=O)CC(F)(F)F)n2n1.
What is the InChIKey of 3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide?
The InChIKey is FHBHJFAXFIIVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2/c1-20-9-3-2-6-15-16-7(18(6)17-9)5-14-8(19)4-10(11,12)13/h2-3H,4-5H2,1H3,(H,14,19).
What are the key properties of 3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide?
3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide has a molecular weight of 289.22 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide is sourced from PubChem (CID 121181887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).