7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C10H8ClF3N6 — CID 114478313

IUPAC7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2n1CCN(c1cnnc(Cl)c1)C2
InChIInChI=1S/C10H8ClF3N6/c11-7-3-6(4-15-16-7)19-1-2-20-8(5-19)17-18-9(20)10(12,13)14/h3-4H,1-2,5H2
InChIKeyLFJNSSBXXAWVCI-UHFFFAOYSA-N
MW304.66 g/mol
LogP1.76
Rot. Bonds1

About 7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 114478313) has the molecular formula C10H8ClF3N6 and a molecular weight of 304.66 g/mol. Its IUPAC name is 7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID114478313
Molecular FormulaC10H8ClF3N6
Molecular Weight304.66 g/mol
Exact Mass304.05
IUPAC Name7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2n1CCN(c1cnnc(Cl)c1)C2
InChIInChI=1S/C10H8ClF3N6/c11-7-3-6(4-15-16-7)19-1-2-20-8(5-19)17-18-9(20)10(12,13)14/h3-4H,1-2,5H2
InChIKeyLFJNSSBXXAWVCI-UHFFFAOYSA-N
XLogP1.76
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 114478313) is 7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)c1nnc2n1CCN(c1cnnc(Cl)c1)C2.
What is the InChIKey of 7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is LFJNSSBXXAWVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N6/c11-7-3-6(4-15-16-7)19-1-2-20-8(5-19)17-18-9(20)10(12,13)14/h3-4H,1-2,5H2.
What are the key properties of 7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 304.66 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloropyridazin-4-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 114478313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).