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

C10H15F3N4O2S — CID 91956970

IUPAC8-methyl-7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1c2nnc(C(F)(F)F)n2CCN1S(=O)(=O)C(C)C
InChIInChI=1S/C10H15F3N4O2S/c1-6(2)20(18,19)17-5-4-16-8(7(17)3)14-15-9(16)10(11,12)13/h6-7H,4-5H2,1-3H3
InChIKeyPVWFYDKJTISOIT-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.41
Rot. Bonds2

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

8-methyl-7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 91956970) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is 8-methyl-7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-methyl-7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID91956970
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC Name8-methyl-7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1c2nnc(C(F)(F)F)n2CCN1S(=O)(=O)C(C)C
InChIInChI=1S/C10H15F3N4O2S/c1-6(2)20(18,19)17-5-4-16-8(7(17)3)14-15-9(16)10(11,12)13/h6-7H,4-5H2,1-3H3
InChIKeyPVWFYDKJTISOIT-UHFFFAOYSA-N
XLogP1.41
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-methyl-7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 91956970) is 8-methyl-7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-methyl-7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-methyl-7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC1c2nnc(C(F)(F)F)n2CCN1S(=O)(=O)C(C)C.
What is the InChIKey of 8-methyl-7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PVWFYDKJTISOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c1-6(2)20(18,19)17-5-4-16-8(7(17)3)14-15-9(16)10(11,12)13/h6-7H,4-5H2,1-3H3.
What are the key properties of 8-methyl-7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
8-methyl-7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 312.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 91956970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).