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

C9H13F3N4 — CID 118136413

IUPAC5,5,8-trimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCC(C)(C)n2c1nnc2C(F)(F)F
InChIInChI=1S/C9H13F3N4/c1-5-6-14-15-7(9(10,11)12)16(6)8(2,3)4-13-5/h5,13H,4H2,1-3H3
InChIKeyVBAGSRXRVXWOEL-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.70
Rot. Bonds

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

5,5,8-trimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 118136413) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5,5,8-trimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5,5,8-trimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID118136413
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name5,5,8-trimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCC(C)(C)n2c1nnc2C(F)(F)F
InChIInChI=1S/C9H13F3N4/c1-5-6-14-15-7(9(10,11)12)16(6)8(2,3)4-13-5/h5,13H,4H2,1-3H3
InChIKeyVBAGSRXRVXWOEL-UHFFFAOYSA-N
XLogP1.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5,8-trimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

3-(Trifluoromethyl)-5,6,7,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrazine
CID 10176489
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
CID 11961371
3-ethyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 45088313
3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 52911275
3-(difluoromethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62587166
3-(2,2,2-trifluoroethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62588062
8-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 66846312
3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 50986550
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987769
3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987852
1-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethan-1-amine
CID 71695363
3,8-dimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 60728056

Frequently Asked Questions

What is the IUPAC name of 5,5,8-trimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5,5,8-trimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine (CID 118136413) is 5,5,8-trimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5,5,8-trimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5,5,8-trimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine is CC1NCC(C)(C)n2c1nnc2C(F)(F)F.
What is the InChIKey of 5,5,8-trimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VBAGSRXRVXWOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-5-6-14-15-7(9(10,11)12)16(6)8(2,3)4-13-5/h5,13H,4H2,1-3H3.
What are the key properties of 5,5,8-trimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine?
5,5,8-trimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 234.22 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8-trimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 118136413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).