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

C17H24N4O3S — CID 77081658

IUPAC[4-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C1CCCN(Cc2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C17H24N4O3S/c1-20-16(12-22)18-19-17(20)14-4-3-9-21(11-14)10-13-5-7-15(8-6-13)25(2,23)24/h5-8,14,22H,3-4,9-12H2,1-2H3
InChIKeyGQQXIGADYOGZER-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.09
Rot. Bonds5

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

[4-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol (PubChem CID 77081658) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is [4-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol
PubChem CID77081658
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name[4-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C1CCCN(Cc2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C17H24N4O3S/c1-20-16(12-22)18-19-17(20)14-4-3-9-21(11-14)10-13-5-7-15(8-6-13)25(2,23)24/h5-8,14,22H,3-4,9-12H2,1-2H3
InChIKeyGQQXIGADYOGZER-UHFFFAOYSA-N
XLogP1.09
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-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-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol (CID 77081658) is [4-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1C1CCCN(Cc2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of [4-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is GQQXIGADYOGZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-20-16(12-22)18-19-17(20)14-4-3-9-21(11-14)10-13-5-7-15(8-6-13)25(2,23)24/h5-8,14,22H,3-4,9-12H2,1-2H3.
What are the key properties of [4-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 364.47 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 77081658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).