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

C12H9ClF3N7 — CID 86674653

IUPAC7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2n1CCN(c1ncc3c(Cl)nccn13)C2
InChIInChI=1S/C12H9ClF3N7/c13-9-7-5-18-11(22(7)2-1-17-9)21-3-4-23-8(6-21)19-20-10(23)12(14,15)16/h1-2,5H,3-4,6H2
InChIKeyQRJRBNRAQYZNLA-UHFFFAOYSA-N
MW343.70 g/mol
LogP2.01
Rot. Bonds1

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

7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 86674653) has the molecular formula C12H9ClF3N7 and a molecular weight of 343.70 g/mol. Its IUPAC name is 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID86674653
Molecular FormulaC12H9ClF3N7
Molecular Weight343.70 g/mol
Exact Mass343.06
IUPAC Name7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)(F)c1nnc2n1CCN(c1ncc3c(Cl)nccn13)C2
InChIInChI=1S/C12H9ClF3N7/c13-9-7-5-18-11(22(7)2-1-17-9)21-3-4-23-8(6-21)19-20-10(23)12(14,15)16/h1-2,5H,3-4,6H2
InChIKeyQRJRBNRAQYZNLA-UHFFFAOYSA-N
XLogP2.01
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.70
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 86674653) is 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)(F)c1nnc2n1CCN(c1ncc3c(Cl)nccn13)C2.
What is the InChIKey of 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is QRJRBNRAQYZNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N7/c13-9-7-5-18-11(22(7)2-1-17-9)21-3-4-23-8(6-21)19-20-10(23)12(14,15)16/h1-2,5H,3-4,6H2.
What are the key properties of 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 343.70 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 86674653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).