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

C12H22N4S — CID 129272807

IUPAC3-methyl-7-(2-methyl-4-methylsulfanylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCSCCC(C)(C)N1CCn2c(C)nnc2C1
InChIInChI=1S/C12H22N4S/c1-10-13-14-11-9-15(6-7-16(10)11)12(2,3)5-8-17-4/h5-9H2,1-4H3
InChIKeyHWRCIPYSWLYTQO-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.93
Rot. Bonds4

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

3-methyl-7-(2-methyl-4-methylsulfanylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 129272807) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-methyl-7-(2-methyl-4-methylsulfanylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-methyl-7-(2-methyl-4-methylsulfanylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID129272807
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name3-methyl-7-(2-methyl-4-methylsulfanylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCSCCC(C)(C)N1CCn2c(C)nnc2C1
InChIInChI=1S/C12H22N4S/c1-10-13-14-11-9-15(6-7-16(10)11)12(2,3)5-8-17-4/h5-9H2,1-4H3
InChIKeyHWRCIPYSWLYTQO-UHFFFAOYSA-N
XLogP1.93
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-methyl-4-methylsulfanylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-methyl-7-(2-methyl-4-methylsulfanylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 129272807) is 3-methyl-7-(2-methyl-4-methylsulfanylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-methyl-7-(2-methyl-4-methylsulfanylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-methyl-7-(2-methyl-4-methylsulfanylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CSCCC(C)(C)N1CCn2c(C)nnc2C1.
What is the InChIKey of 3-methyl-7-(2-methyl-4-methylsulfanylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HWRCIPYSWLYTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-10-13-14-11-9-15(6-7-16(10)11)12(2,3)5-8-17-4/h5-9H2,1-4H3.
What are the key properties of 3-methyl-7-(2-methyl-4-methylsulfanylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-methyl-7-(2-methyl-4-methylsulfanylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 254.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-methyl-4-methylsulfanylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 129272807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).