3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol

C9H10F3N5O2 — CID 103801573

IUPAC3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol
SMILESOCC(O)CNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C9H10F3N5O2/c10-9(11,12)8-15-14-7-2-1-6(16-17(7)8)13-3-5(19)4-18/h1-2,5,18-19H,3-4H2,(H,13,16)
InChIKeySTRIAQKNHALQGQ-UHFFFAOYSA-N
MW277.21 g/mol
LogP-0.09
Rot. Bonds4

About 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol

3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol (PubChem CID 103801573) has the molecular formula C9H10F3N5O2 and a molecular weight of 277.21 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol
PubChem CID103801573
Molecular FormulaC9H10F3N5O2
Molecular Weight277.21 g/mol
Exact Mass277.08
IUPAC Name3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol
SMILESOCC(O)CNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C9H10F3N5O2/c10-9(11,12)8-15-14-7-2-1-6(16-17(7)8)13-3-5(19)4-18/h1-2,5,18-19H,3-4H2,(H,13,16)
InChIKeySTRIAQKNHALQGQ-UHFFFAOYSA-N
XLogP-0.09
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol (CID 103801573) is 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol is OCC(O)CNc1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol?
The InChIKey is STRIAQKNHALQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O2/c10-9(11,12)8-15-14-7-2-1-6(16-17(7)8)13-3-5(19)4-18/h1-2,5,18-19H,3-4H2,(H,13,16).
What are the key properties of 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol?
3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol has a molecular weight of 277.21 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol is sourced from PubChem (CID 103801573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).