6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C13H13F3N4 — CID 118949644

IUPAC6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1Cn2c(nnc2-c2ccc(C(F)(F)F)cc2)CN1
InChIInChI=1S/C13H13F3N4/c1-8-7-20-11(6-17-8)18-19-12(20)9-2-4-10(5-3-9)13(14,15)16/h2-5,8,17H,6-7H2,1H3
InChIKeyDNLOATGWYHQNPG-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.46
Rot. Bonds1

About 6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 118949644) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID118949644
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1Cn2c(nnc2-c2ccc(C(F)(F)F)cc2)CN1
InChIInChI=1S/C13H13F3N4/c1-8-7-20-11(6-17-8)18-19-12(20)9-2-4-10(5-3-9)13(14,15)16/h2-5,8,17H,6-7H2,1H3
InChIKeyDNLOATGWYHQNPG-UHFFFAOYSA-N
XLogP2.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 118949644) is 6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1Cn2c(nnc2-c2ccc(C(F)(F)F)cc2)CN1.
What is the InChIKey of 6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is DNLOATGWYHQNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-8-7-20-11(6-17-8)18-19-12(20)9-2-4-10(5-3-9)13(14,15)16/h2-5,8,17H,6-7H2,1H3.
What are the key properties of 6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 282.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 118949644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).