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

C9H15N3O3S — CID 105392048

IUPAC[3-(methylsulfonylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESCS(=O)(=O)Cc1nnc2n1CC(CO)CC2
InChIInChI=1S/C9H15N3O3S/c1-16(14,15)6-9-11-10-8-3-2-7(5-13)4-12(8)9/h7,13H,2-6H2,1H3
InChIKeyOWHDKBATFYGJBP-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.62
Rot. Bonds3

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

[3-(methylsulfonylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (PubChem CID 105392048) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is [3-(methylsulfonylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[3-(methylsulfonylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
PubChem CID105392048
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name[3-(methylsulfonylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESCS(=O)(=O)Cc1nnc2n1CC(CO)CC2
InChIInChI=1S/C9H15N3O3S/c1-16(14,15)6-9-11-10-8-3-2-7(5-13)4-12(8)9/h7,13H,2-6H2,1H3
InChIKeyOWHDKBATFYGJBP-UHFFFAOYSA-N
XLogP-0.62
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(methylsulfonylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The IUPAC name of [3-(methylsulfonylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (CID 105392048) is [3-(methylsulfonylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.
What is the SMILES notation for [3-(methylsulfonylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The canonical SMILES for [3-(methylsulfonylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is CS(=O)(=O)Cc1nnc2n1CC(CO)CC2.
What is the InChIKey of [3-(methylsulfonylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The InChIKey is OWHDKBATFYGJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-16(14,15)6-9-11-10-8-3-2-7(5-13)4-12(8)9/h7,13H,2-6H2,1H3.
What are the key properties of [3-(methylsulfonylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
[3-(methylsulfonylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol has a molecular weight of 245.30 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylsulfonylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is sourced from PubChem (CID 105392048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).