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

C9H16N4O2S — CID 104522037

IUPAC8-methyl-3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c1nnc2C(C)S(C)(=O)=O
InChIInChI=1S/C9H16N4O2S/c1-6-8-11-12-9(7(2)16(3,14)15)13(8)5-4-10-6/h6-7,10H,4-5H2,1-3H3
InChIKeyAXQKAXNGVNVXBA-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.05
Rot. Bonds2

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

8-methyl-3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 104522037) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 8-methyl-3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-methyl-3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID104522037
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name8-methyl-3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c1nnc2C(C)S(C)(=O)=O
InChIInChI=1S/C9H16N4O2S/c1-6-8-11-12-9(7(2)16(3,14)15)13(8)5-4-10-6/h6-7,10H,4-5H2,1-3H3
InChIKeyAXQKAXNGVNVXBA-UHFFFAOYSA-N
XLogP0.05
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-butan-2-yl-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
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3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
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3-(4,5-dimethylthiophen-2-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
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N-methyl-N-[[(8R)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-methyl-3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 104522037) is 8-methyl-3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-methyl-3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-methyl-3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1NCCn2c1nnc2C(C)S(C)(=O)=O.
What is the InChIKey of 8-methyl-3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is AXQKAXNGVNVXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-6-8-11-12-9(7(2)16(3,14)15)13(8)5-4-10-6/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 8-methyl-3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-methyl-3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 244.32 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 104522037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).