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

C13H12F3N7 — CID 67364819

IUPAC7-(8-methylimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nccn2c(N3CCn4c(nnc4C(F)(F)F)C3)ncc12
InChIInChI=1S/C13H12F3N7/c1-8-9-6-18-12(22(9)3-2-17-8)21-4-5-23-10(7-21)19-20-11(23)13(14,15)16/h2-3,6H,4-5,7H2,1H3
InChIKeyIATBQKQMTRLDDT-UHFFFAOYSA-N
MW323.28 g/mol
LogP1.67
Rot. Bonds1

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

7-(8-methylimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 67364819) has the molecular formula C13H12F3N7 and a molecular weight of 323.28 g/mol. Its IUPAC name is 7-(8-methylimidazo[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-methylimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID67364819
Molecular FormulaC13H12F3N7
Molecular Weight323.28 g/mol
Exact Mass323.11
IUPAC Name7-(8-methylimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nccn2c(N3CCn4c(nnc4C(F)(F)F)C3)ncc12
InChIInChI=1S/C13H12F3N7/c1-8-9-6-18-12(22(9)3-2-17-8)21-4-5-23-10(7-21)19-20-11(23)13(14,15)16/h2-3,6H,4-5,7H2,1H3
InChIKeyIATBQKQMTRLDDT-UHFFFAOYSA-N
XLogP1.67
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(8-methylimidazo[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-methylimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 67364819) is 7-(8-methylimidazo[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-methylimidazo[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-methylimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nccn2c(N3CCn4c(nnc4C(F)(F)F)C3)ncc12.
What is the InChIKey of 7-(8-methylimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is IATBQKQMTRLDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N7/c1-8-9-6-18-12(22(9)3-2-17-8)21-4-5-23-10(7-21)19-20-11(23)13(14,15)16/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 7-(8-methylimidazo[1,5-a]pyrazin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(8-methylimidazo[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 323.28 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-methylimidazo[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 67364819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).