4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one

C15H24N4O4SSi — CID 24851814

IUPAC4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one
SMILESCn1c(-c2ccn(COCC[Si](C)(C)C)c(=O)c2)nnc1S(C)(=O)=O
InChIInChI=1S/C15H24N4O4SSi/c1-18-14(16-17-15(18)24(2,21)22)12-6-7-19(13(20)10-12)11-23-8-9-25(3,4)5/h6-7,10H,8-9,11H2,1-5H3
InChIKeyVDGMLENFLKKBGQ-UHFFFAOYSA-N
MW384.53 g/mol
LogP1.36
Rot. Bonds7

About 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one

4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one (PubChem CID 24851814) has the molecular formula C15H24N4O4SSi and a molecular weight of 384.53 g/mol. Its IUPAC name is 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one.

Molecular Properties

Compound Name4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one
PubChem CID24851814
Molecular FormulaC15H24N4O4SSi
Molecular Weight384.53 g/mol
Exact Mass384.13
IUPAC Name4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one
SMILESCn1c(-c2ccn(COCC[Si](C)(C)C)c(=O)c2)nnc1S(C)(=O)=O
InChIInChI=1S/C15H24N4O4SSi/c1-18-14(16-17-15(18)24(2,21)22)12-6-7-19(13(20)10-12)11-23-8-9-25(3,4)5/h6-7,10H,8-9,11H2,1-5H3
InChIKeyVDGMLENFLKKBGQ-UHFFFAOYSA-N
XLogP1.36
TPSA96.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one?
The IUPAC name of 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one (CID 24851814) is 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one.
What is the SMILES notation for 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one?
The canonical SMILES for 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one is Cn1c(-c2ccn(COCC[Si](C)(C)C)c(=O)c2)nnc1S(C)(=O)=O.
What is the InChIKey of 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one?
The InChIKey is VDGMLENFLKKBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4SSi/c1-18-14(16-17-15(18)24(2,21)22)12-6-7-19(13(20)10-12)11-23-8-9-25(3,4)5/h6-7,10H,8-9,11H2,1-5H3.
What are the key properties of 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one?
4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one has a molecular weight of 384.53 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one is sourced from PubChem (CID 24851814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).