[4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol

C7H13N3O3S — CID 104523022

IUPAC[4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(c1nnc(CO)n1C)S(C)(=O)=O
InChIInChI=1S/C7H13N3O3S/c1-5(14(3,12)13)7-9-8-6(4-11)10(7)2/h5,11H,4H2,1-3H3
InChIKeyDXNMALDALZMYIQ-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.59
Rot. Bonds3

About [4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol

[4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 104523022) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is [4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID104523022
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name[4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(c1nnc(CO)n1C)S(C)(=O)=O
InChIInChI=1S/C7H13N3O3S/c1-5(14(3,12)13)7-9-8-6(4-11)10(7)2/h5,11H,4H2,1-3H3
InChIKeyDXNMALDALZMYIQ-UHFFFAOYSA-N
XLogP-0.59
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-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 [4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol (CID 104523022) is [4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol is CC(c1nnc(CO)n1C)S(C)(=O)=O.
What is the InChIKey of [4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is DXNMALDALZMYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-5(14(3,12)13)7-9-8-6(4-11)10(7)2/h5,11H,4H2,1-3H3.
What are the key properties of [4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 219.27 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 104523022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).