trimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane

C12H17N3SSi — CID 56528992

IUPACtrimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane
SMILESC[Si](C)(C)CSc1nncn1-c1ccccc1
InChIInChI=1S/C12H17N3SSi/c1-17(2,3)10-16-12-14-13-9-15(12)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3
InChIKeyIHRLPKCTUOLGQP-UHFFFAOYSA-N
MW263.44 g/mol
LogP3.24
Rot. Bonds4

About trimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane

trimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane (PubChem CID 56528992) has the molecular formula C12H17N3SSi and a molecular weight of 263.44 g/mol. Its IUPAC name is trimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane.

Molecular Properties

Compound Nametrimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane
PubChem CID56528992
Molecular FormulaC12H17N3SSi
Molecular Weight263.44 g/mol
Exact Mass263.09
IUPAC Nametrimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane
SMILESC[Si](C)(C)CSc1nncn1-c1ccccc1
InChIInChI=1S/C12H17N3SSi/c1-17(2,3)10-16-12-14-13-9-15(12)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3
InChIKeyIHRLPKCTUOLGQP-UHFFFAOYSA-N
XLogP3.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.44
LogP ≤ 53.24
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

4-methyl-1-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexan-1-ol
CID 111476221
2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]ethyl]acetamide
CID 16529726
2-(3-methylphenyl)-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 9345000
N-[3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]methanesulfonamide
CID 47772818
3-methyl-1-phenyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazole-4-carbonitrile
CID 51110304
4-phenyl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 8896274
2-(4-methylphenyl)-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole
CID 32787581
N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2662774
N-(3,5-dimethylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2573218
(2R)-3-amino-2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-3-enenitrile
CID 2453714
1-(4-phenylpiperazin-1-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4819769
3-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
CID 2659873

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane?
The IUPAC name of trimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane (CID 56528992) is trimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane.
What is the SMILES notation for trimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane?
The canonical SMILES for trimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane is C[Si](C)(C)CSc1nncn1-c1ccccc1.
What is the InChIKey of trimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane?
The InChIKey is IHRLPKCTUOLGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3SSi/c1-17(2,3)10-16-12-14-13-9-15(12)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3.
What are the key properties of trimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane?
trimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane has a molecular weight of 263.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]silane is sourced from PubChem (CID 56528992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).