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

C11H17F3N4 — CID 155236095

IUPAC7-(2,2-dimethylpropyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(C)(C)CN1CCn2nc(C(F)(F)F)nc2C1
InChIInChI=1S/C11H17F3N4/c1-10(2,3)7-17-4-5-18-8(6-17)15-9(16-18)11(12,13)14/h4-7H2,1-3H3
InChIKeyGJZAHINPYCWHHQ-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.16
Rot. Bonds1

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

7-(2,2-dimethylpropyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 155236095) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID155236095
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name7-(2,2-dimethylpropyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(C)(C)CN1CCn2nc(C(F)(F)F)nc2C1
InChIInChI=1S/C11H17F3N4/c1-10(2,3)7-17-4-5-18-8(6-17)15-9(16-18)11(12,13)14/h4-7H2,1-3H3
InChIKeyGJZAHINPYCWHHQ-UHFFFAOYSA-N
XLogP2.16
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

7-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 70214013
1-[(1-butyl-3-methyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylpiperazine
CID 129615362
5,5-Dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 24777575
3-(Trifluoromethyl)-7-methyl-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine
CID 45097024
7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 57531006
7-tert-butyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 57777184
8-methyl-7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 57917048
7-ethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 58157198
7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 58315203
7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 59856280
2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine
CID 67289695
7-(3,3-dimethylbutyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 67977972

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 7-(2,2-dimethylpropyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 155236095) is 7-(2,2-dimethylpropyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 7-(2,2-dimethylpropyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is CC(C)(C)CN1CCn2nc(C(F)(F)F)nc2C1.
What is the InChIKey of 7-(2,2-dimethylpropyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is GJZAHINPYCWHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-10(2,3)7-17-4-5-18-8(6-17)15-9(16-18)11(12,13)14/h4-7H2,1-3H3.
What are the key properties of 7-(2,2-dimethylpropyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
7-(2,2-dimethylpropyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 262.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 155236095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).