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

C17H23N5O2S — CID 92625432

IUPAC7-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCN1CCC(c2nnc3n2CCN(S(=O)(=O)c2ccccc2)C3)CC1
InChIInChI=1S/C17H23N5O2S/c1-20-9-7-14(8-10-20)17-19-18-16-13-21(11-12-22(16)17)25(23,24)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3
InChIKeyVYRJIELOACJQQR-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.29
Rot. Bonds3

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

7-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 92625432) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID92625432
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name7-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCN1CCC(c2nnc3n2CCN(S(=O)(=O)c2ccccc2)C3)CC1
InChIInChI=1S/C17H23N5O2S/c1-20-9-7-14(8-10-20)17-19-18-16-13-21(11-12-22(16)17)25(23,24)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3
InChIKeyVYRJIELOACJQQR-UHFFFAOYSA-N
XLogP1.29
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 92625432) is 7-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CN1CCC(c2nnc3n2CCN(S(=O)(=O)c2ccccc2)C3)CC1.
What is the InChIKey of 7-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VYRJIELOACJQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-20-9-7-14(8-10-20)17-19-18-16-13-21(11-12-22(16)17)25(23,24)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3.
What are the key properties of 7-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 361.47 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 92625432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).