7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C11H19N5O2S — CID 134788171

IUPAC7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCS(=O)(=O)N1CCn2c(nnc2C2CCNCC2)C1
InChIInChI=1S/C11H19N5O2S/c1-19(17,18)15-6-7-16-10(8-15)13-14-11(16)9-2-4-12-5-3-9/h9,12H,2-8H2,1H3
InChIKeyNXIRBZXLIGICFT-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.48
Rot. Bonds2

About 7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134788171) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134788171
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCS(=O)(=O)N1CCn2c(nnc2C2CCNCC2)C1
InChIInChI=1S/C11H19N5O2S/c1-19(17,18)15-6-7-16-10(8-15)13-14-11(16)9-2-4-12-5-3-9/h9,12H,2-8H2,1H3
InChIKeyNXIRBZXLIGICFT-UHFFFAOYSA-N
XLogP-0.48
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134788171) is 7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CS(=O)(=O)N1CCn2c(nnc2C2CCNCC2)C1.
What is the InChIKey of 7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NXIRBZXLIGICFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-19(17,18)15-6-7-16-10(8-15)13-14-11(16)9-2-4-12-5-3-9/h9,12H,2-8H2,1H3.
What are the key properties of 7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 285.37 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134788171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).