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

C6H8F2N4 — CID 62587166

IUPAC3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)c1nnc2n1CCNC2
InChIInChI=1S/C6H8F2N4/c7-5(8)6-11-10-4-3-9-1-2-12(4)6/h5,9H,1-3H2
InChIKeyOPBRLKOINULLLT-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.32
Rot. Bonds1

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

3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 62587166) has the molecular formula C6H8F2N4 and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID62587166
Molecular FormulaC6H8F2N4
Molecular Weight174.15 g/mol
Exact Mass174.07
IUPAC Name3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)c1nnc2n1CCNC2
InChIInChI=1S/C6H8F2N4/c7-5(8)6-11-10-4-3-9-1-2-12(4)6/h5,9H,1-3H2
InChIKeyOPBRLKOINULLLT-UHFFFAOYSA-N
XLogP0.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 51606505
3-ethyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 45088313
5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 17998718
3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 52911275
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
5H,6H,7H,8H-(1,2,4)triazolo(1,5-a)pyrazine
CID 18406919
2-methyl-5H,6H,7H,8H-(1,2,4)triazolo(1,5-a)pyrazine
CID 18406955
3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
CID 44118261
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 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 62587166) is 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)c1nnc2n1CCNC2.
What is the InChIKey of 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is OPBRLKOINULLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4/c7-5(8)6-11-10-4-3-9-1-2-12(4)6/h5,9H,1-3H2.
What are the key properties of 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 174.15 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 62587166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).