6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C12H10F3N7 — CID 86774425

IUPAC6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCn4ccnc4C3)nn12
InChIInChI=1S/C12H10F3N7/c13-12(14,15)11-18-17-8-1-2-9(19-22(8)11)21-6-5-20-4-3-16-10(20)7-21/h1-4H,5-7H2
InChIKeyLLQMQDJRVKFVGJ-UHFFFAOYSA-N
MW309.26 g/mol
LogP1.36
Rot. Bonds1

About 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 86774425) has the molecular formula C12H10F3N7 and a molecular weight of 309.26 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID86774425
Molecular FormulaC12H10F3N7
Molecular Weight309.26 g/mol
Exact Mass309.09
IUPAC Name6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCn4ccnc4C3)nn12
InChIInChI=1S/C12H10F3N7/c13-12(14,15)11-18-17-8-1-2-9(19-22(8)11)21-6-5-20-4-3-16-10(20)7-21/h1-4H,5-7H2
InChIKeyLLQMQDJRVKFVGJ-UHFFFAOYSA-N
XLogP1.36
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 86774425) is 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(N3CCn4ccnc4C3)nn12.
What is the InChIKey of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LLQMQDJRVKFVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N7/c13-12(14,15)11-18-17-8-1-2-9(19-22(8)11)21-6-5-20-4-3-16-10(20)7-21/h1-4H,5-7H2.
What are the key properties of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 309.26 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 86774425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).