[3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol

C10H17N3O3S — CID 105391972

IUPAC[3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESCC(c1nnc2n1CC(CO)CC2)S(C)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-7(17(2,15)16)10-12-11-9-4-3-8(6-14)5-13(9)10/h7-8,14H,3-6H2,1-2H3
InChIKeySMIFTRYTQKONPK-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.06
Rot. Bonds3

About [3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol

[3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (PubChem CID 105391972) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is [3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
PubChem CID105391972
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name[3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESCC(c1nnc2n1CC(CO)CC2)S(C)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-7(17(2,15)16)10-12-11-9-4-3-8(6-14)5-13(9)10/h7-8,14H,3-6H2,1-2H3
InChIKeySMIFTRYTQKONPK-UHFFFAOYSA-N
XLogP-0.06
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The IUPAC name of [3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (CID 105391972) is [3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.
What is the SMILES notation for [3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The canonical SMILES for [3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is CC(c1nnc2n1CC(CO)CC2)S(C)(=O)=O.
What is the InChIKey of [3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The InChIKey is SMIFTRYTQKONPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-7(17(2,15)16)10-12-11-9-4-3-8(6-14)5-13(9)10/h7-8,14H,3-6H2,1-2H3.
What are the key properties of [3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
[3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol has a molecular weight of 259.33 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylsulfonylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is sourced from PubChem (CID 105391972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).