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

C8H11F3N4O — CID 118136394

IUPAC5-methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1C2=NN=C(N2C(CN1)OC)C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-4-6-13-14-7(8(9,10)11)15(6)5(16-2)3-12-4/h4-5,12H,3H2,1-2H3
InChIKeyUQOGGMVPAQFAMJ-UHFFFAOYSA-N
MW236.19 g/mol
LogP-0.20
Rot. Bonds1

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

5-Methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 118136394) has the molecular formula C8H11F3N4O and a molecular weight of 236.19 g/mol. Its IUPAC name is 5-methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5-Methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID118136394
Molecular FormulaC8H11F3N4O
Molecular Weight236.19 g/mol
Exact Mass236.09
IUPAC Name5-methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1C2=NN=C(N2C(CN1)OC)C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-4-6-13-14-7(8(9,10)11)15(6)5(16-2)3-12-4/h4-5,12H,3H2,1-2H3
InChIKeyUQOGGMVPAQFAMJ-UHFFFAOYSA-N
XLogP-0.20
TPSA52.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity262

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(2,2,2-trifluoroethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62588062
6-methyl-3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 69363923
3-(methoxymethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 57416366
2-(methoxymethyl)-5H,6H,7H,8H-(1,2,4)triazolo(1,5-a)pyridin-6-amine
CID 71755965
(1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine
CID 96850208
8-methyl-3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride
CID 137951311
2-(methoxymethyl)-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 71756040
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86772319
3-[1-(2,2,2-Trifluoroethyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 110209422
1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
CID 110210749
5-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 24777182
5,8-Dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine, hydrochloride
CID 24777310

Frequently Asked Questions

What is the IUPAC name of 5-Methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5-Methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 118136394) is 5-methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5-Methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5-Methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1C2=NN=C(N2C(CN1)OC)C(F)(F)F.
What is the InChIKey of 5-Methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is UQOGGMVPAQFAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-4-6-13-14-7(8(9,10)11)15(6)5(16-2)3-12-4/h4-5,12H,3H2,1-2H3.
What are the key properties of 5-Methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
5-Methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 236.19 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 118136394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).