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

C7H10F2N4 — CID 118136377

IUPAC3-(difluoromethyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CNCc2nnc(C(F)F)n21
InChIInChI=1S/C7H10F2N4/c1-4-2-10-3-5-11-12-7(6(8)9)13(4)5/h4,6,10H,2-3H2,1H3
InChIKeyHWWYSRQNJRYKPD-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.88
Rot. Bonds1

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

3-(difluoromethyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 118136377) has the molecular formula C7H10F2N4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(difluoromethyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID118136377
Molecular FormulaC7H10F2N4
Molecular Weight188.18 g/mol
Exact Mass188.09
IUPAC Name3-(difluoromethyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CNCc2nnc(C(F)F)n21
InChIInChI=1S/C7H10F2N4/c1-4-2-10-3-5-11-12-7(6(8)9)13(4)5/h4,6,10H,2-3H2,1H3
InChIKeyHWWYSRQNJRYKPD-UHFFFAOYSA-N
XLogP0.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(difluoromethyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 118136377) is 3-(difluoromethyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(difluoromethyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(difluoromethyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1CNCc2nnc(C(F)F)n21.
What is the InChIKey of 3-(difluoromethyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HWWYSRQNJRYKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4/c1-4-2-10-3-5-11-12-7(6(8)9)13(4)5/h4,6,10H,2-3H2,1H3.
What are the key properties of 3-(difluoromethyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(difluoromethyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 188.18 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 118136377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).