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

C10H15F3N4O3S — CID 91956972

IUPAC7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOCCS(=O)(=O)N1CCn2c(nnc2C(F)(F)F)C1C
InChIInChI=1S/C10H15F3N4O3S/c1-7-8-14-15-9(10(11,12)13)16(8)3-4-17(7)21(18,19)6-5-20-2/h7H,3-6H2,1-2H3
InChIKeySCYMFZSALPYJRB-UHFFFAOYSA-N
MW328.32 g/mol
LogP0.65
Rot. Bonds4

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

7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 91956972) has the molecular formula C10H15F3N4O3S and a molecular weight of 328.32 g/mol. Its IUPAC name is 7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID91956972
Molecular FormulaC10H15F3N4O3S
Molecular Weight328.32 g/mol
Exact Mass328.08
IUPAC Name7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOCCS(=O)(=O)N1CCn2c(nnc2C(F)(F)F)C1C
InChIInChI=1S/C10H15F3N4O3S/c1-7-8-14-15-9(10(11,12)13)16(8)3-4-17(7)21(18,19)6-5-20-2/h7H,3-6H2,1-2H3
InChIKeySCYMFZSALPYJRB-UHFFFAOYSA-N
XLogP0.65
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 91956972) is 7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is COCCS(=O)(=O)N1CCn2c(nnc2C(F)(F)F)C1C.
What is the InChIKey of 7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SCYMFZSALPYJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O3S/c1-7-8-14-15-9(10(11,12)13)16(8)3-4-17(7)21(18,19)6-5-20-2/h7H,3-6H2,1-2H3.
What are the key properties of 7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 328.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethylsulfonyl)-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 91956972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).