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

C10H17F3N4 — CID 144929619

IUPAC5,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane
SMILESCC.CC1CN(CC2=NN=C(N12)C(F)(F)F)C
InChIInChI=1S/C8H11F3N4.C2H6/c1-5-3-14(2)4-6-12-13-7(15(5)6)8(9,10)11;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyRRTMXGGJKRVRCD-UHFFFAOYSA-N
MW250.26 g/mol
LogP—
Rot. Bonds

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

5,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane (PubChem CID 144929619) has the molecular formula C10H17F3N4 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane.

Molecular Properties

Compound Name5,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane
PubChem CID144929619
Molecular FormulaC10H17F3N4
Molecular Weight250.26 g/mol
Exact Mass250.14
IUPAC Name5,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane
SMILESCC.CC1CN(CC2=NN=C(N12)C(F)(F)F)C
InChIInChI=1S/C8H11F3N4.C2H6/c1-5-3-14(2)4-6-12-13-7(15(5)6)8(9,10)11;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyRRTMXGGJKRVRCD-UHFFFAOYSA-N
XLogP—
TPSA34.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity245

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane 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
7-Nitroso-3-(trifluoromethyl)-5,6,7,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrazine; 7-nitroso-3-(trifluoromethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 165984324
3,8-dimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 60728056
6-methyl-3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 69363923
8-Methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
CID 53393362
7-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 70214013
8-methyl-3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride
CID 137951311
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
5,8-Dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 24777311
5,5-Dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 24777575
(8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 34176349

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane?
The IUPAC name of 5,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane (CID 144929619) is 5,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane.
What is the SMILES notation for 5,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane?
The canonical SMILES for 5,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane is CC.CC1CN(CC2=NN=C(N12)C(F)(F)F)C.
What is the InChIKey of 5,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane?
The InChIKey is RRTMXGGJKRVRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4.C2H6/c1-5-3-14(2)4-6-12-13-7(15(5)6)8(9,10)11;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of 5,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane?
5,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane has a molecular weight of 250.26 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethane is sourced from PubChem (CID 144929619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).