(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane

C15H23N3SSi — CID 56570814

IUPAC(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane
SMILESCCn1c(Cc2ccccc2)nnc1SC[Si](C)(C)C
InChIInChI=1S/C15H23N3SSi/c1-5-18-14(11-13-9-7-6-8-10-13)16-17-15(18)19-12-20(2,3)4/h6-10H,5,11-12H2,1-4H3
InChIKeyBTABIXQMVMGZMX-UHFFFAOYSA-N
MW305.52 g/mol
LogP3.86
Rot. Bonds6

About (5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane

(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane (PubChem CID 56570814) has the molecular formula C15H23N3SSi and a molecular weight of 305.52 g/mol. Its IUPAC name is (5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane.

Molecular Properties

Compound Name(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane
PubChem CID56570814
Molecular FormulaC15H23N3SSi
Molecular Weight305.52 g/mol
Exact Mass305.14
IUPAC Name(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane
SMILESCCn1c(Cc2ccccc2)nnc1SC[Si](C)(C)C
InChIInChI=1S/C15H23N3SSi/c1-5-18-14(11-13-9-7-6-8-10-13)16-17-15(18)19-12-20(2,3)4/h6-10H,5,11-12H2,1-4H3
InChIKeyBTABIXQMVMGZMX-UHFFFAOYSA-N
XLogP3.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.52
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazole
CID 84603303
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylacetamide
CID 84603316
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-propyl-1,3,4-oxadiazole
CID 8707833
3-benzyl-4-ethyl-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole
CID 1005737
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 1071729
3-benzyl-4-ethyl-5-[2-(2-methylphenoxy)ethylsulfanyl]-1,2,4-triazole
CID 112776985
3-benzyl-4-ethyl-5-[2-(4-methylphenoxy)ethylsulfanyl]-1,2,4-triazole
CID 126115239
3-benzylsulfanyl-4,5-diethyl-1,2,4-triazole
CID 28563943
3-benzyl-4-propyl-5-propylsulfanyl-1,2,4-triazole
CID 126108779
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 92645077
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-3-ylacetamide
CID 7681670
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylacetamide
CID 17302824

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane?
The IUPAC name of (5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane (CID 56570814) is (5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane.
What is the SMILES notation for (5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane?
The canonical SMILES for (5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane is CCn1c(Cc2ccccc2)nnc1SC[Si](C)(C)C.
What is the InChIKey of (5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane?
The InChIKey is BTABIXQMVMGZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3SSi/c1-5-18-14(11-13-9-7-6-8-10-13)16-17-15(18)19-12-20(2,3)4/h6-10H,5,11-12H2,1-4H3.
What are the key properties of (5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane?
(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane has a molecular weight of 305.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl-trimethylsilane is sourced from PubChem (CID 56570814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).