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

C7H9F3N4 — CID 34176349

IUPAC(8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC[C@H]1NCCn2c1nnc2C(F)(F)F
InChIInChI=1S/C7H9F3N4/c1-4-5-12-13-6(7(8,9)10)14(5)3-2-11-4/h4,11H,2-3H2,1H3/t4-/m1/s1
InChIKeyPAWAGYHVYVPOCT-SCSAIBSYSA-N
MW206.17 g/mol
LogP0.96
Rot. Bonds

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

(8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 34176349) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is (8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name(8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID34176349
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC Name(8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC[C@H]1NCCn2c1nnc2C(F)(F)F
InChIInChI=1S/C7H9F3N4/c1-4-5-12-13-6(7(8,9)10)14(5)3-2-11-4/h4,11H,2-3H2,1H3/t4-/m1/s1
InChIKeyPAWAGYHVYVPOCT-SCSAIBSYSA-N
XLogP0.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of (8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 34176349) is (8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for (8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for (8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is C[C@H]1NCCn2c1nnc2C(F)(F)F.
What is the InChIKey of (8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PAWAGYHVYVPOCT-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H9F3N4/c1-4-5-12-13-6(7(8,9)10)14(5)3-2-11-4/h4,11H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
(8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 206.17 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 34176349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).