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

C12H11F3N8 — CID 163356731

IUPAC5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCn3c(nnc3C(F)(F)F)C2)n2ncnc2n1
InChIInChI=1S/C12H11F3N8/c1-7-4-9(23-11(18-7)16-6-17-23)21-2-3-22-8(5-21)19-20-10(22)12(13,14)15/h4,6H,2-3,5H2,1H3
InChIKeySQFOTYRIRHFCLA-UHFFFAOYSA-N
MW324.27 g/mol
LogP1.06
Rot. Bonds1

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

5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 163356731) has the molecular formula C12H11F3N8 and a molecular weight of 324.27 g/mol. Its IUPAC name is 5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID163356731
Molecular FormulaC12H11F3N8
Molecular Weight324.27 g/mol
Exact Mass324.11
IUPAC Name5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCn3c(nnc3C(F)(F)F)C2)n2ncnc2n1
InChIInChI=1S/C12H11F3N8/c1-7-4-9(23-11(18-7)16-6-17-23)21-2-3-22-8(5-21)19-20-10(22)12(13,14)15/h4,6H,2-3,5H2,1H3
InChIKeySQFOTYRIRHFCLA-UHFFFAOYSA-N
XLogP1.06
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 163356731) is 5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SQFOTYRIRHFCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N8/c1-7-4-9(23-11(18-7)16-6-17-23)21-2-3-22-8(5-21)19-20-10(22)12(13,14)15/h4,6H,2-3,5H2,1H3.
What are the key properties of 5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 324.27 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163356731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).