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

C7H6F2N4 — CID 118136376

IUPAC3-(difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cncc2nnc(C(F)F)n12
InChIInChI=1S/C7H6F2N4/c1-4-2-10-3-5-11-12-7(6(8)9)13(4)5/h2-3,6H,1H3
InChIKeyVMMHZHASZNEOEO-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.37
Rot. Bonds1

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

3-(difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 118136376) has the molecular formula C7H6F2N4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID118136376
Molecular FormulaC7H6F2N4
Molecular Weight184.15 g/mol
Exact Mass184.06
IUPAC Name3-(difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cncc2nnc(C(F)F)n12
InChIInChI=1S/C7H6F2N4/c1-4-2-10-3-5-11-12-7(6(8)9)13(4)5/h2-3,6H,1H3
InChIKeyVMMHZHASZNEOEO-UHFFFAOYSA-N
XLogP1.37
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 118136376) is 3-(difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine is Cc1cncc2nnc(C(F)F)n12.
What is the InChIKey of 3-(difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VMMHZHASZNEOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N4/c1-4-2-10-3-5-11-12-7(6(8)9)13(4)5/h2-3,6H,1H3.
What are the key properties of 3-(difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine?
3-(difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 184.15 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 118136376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).