[3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane

C18H23N3O2Si — CID 71658682

IUPAC[3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane
SMILESCOc1ccc(OC)c(-n2nnc3cc(C)cc([Si](C)(C)C)c32)c1
InChIInChI=1S/C18H23N3O2Si/c1-12-9-14-18(17(10-12)24(4,5)6)21(20-19-14)15-11-13(22-2)7-8-16(15)23-3/h7-11H,1-6H3
InChIKeyADWICBXURLOMIY-UHFFFAOYSA-N
MW341.49 g/mol
LogP3.29
Rot. Bonds4

About [3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane

[3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane (PubChem CID 71658682) has the molecular formula C18H23N3O2Si and a molecular weight of 341.49 g/mol. Its IUPAC name is [3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane
PubChem CID71658682
Molecular FormulaC18H23N3O2Si
Molecular Weight341.49 g/mol
Exact Mass341.16
IUPAC Name[3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane
SMILESCOc1ccc(OC)c(-n2nnc3cc(C)cc([Si](C)(C)C)c32)c1
InChIInChI=1S/C18H23N3O2Si/c1-12-9-14-18(17(10-12)24(4,5)6)21(20-19-14)15-11-13(22-2)7-8-16(15)23-3/h7-11H,1-6H3
InChIKeyADWICBXURLOMIY-UHFFFAOYSA-N
XLogP3.29
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine
CID 169248346
1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 82198687
1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-sulfonyl chloride
CID 169248208
1-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carbothioamide
CID 82527837
1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine
CID 82466679
5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole
CID 43134747
3-(5-methoxy-2-propan-2-yloxyphenyl)triazolo[4,5-b]pyridine
CID 10334065
[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82198669
1-(2,5-dimethoxyphenyl)-5-propyltriazole-4-carbonitrile
CID 82198630
1-(2,5-dimethoxyphenyl)-5-pyridin-4-yltriazole-4-carbaldehyde
CID 94938608
[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760277
4-(4-tert-butyl-2-methylphenyl)sulfonyl-1-(2,5-dimethoxyphenyl)-5-methyltriazole
CID 160604411

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane?
The IUPAC name of [3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane (CID 71658682) is [3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane.
What is the SMILES notation for [3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane?
The canonical SMILES for [3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane is COc1ccc(OC)c(-n2nnc3cc(C)cc([Si](C)(C)C)c32)c1.
What is the InChIKey of [3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane?
The InChIKey is ADWICBXURLOMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2Si/c1-12-9-14-18(17(10-12)24(4,5)6)21(20-19-14)15-11-13(22-2)7-8-16(15)23-3/h7-11H,1-6H3.
What are the key properties of [3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane?
[3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane has a molecular weight of 341.49 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane is sourced from PubChem (CID 71658682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).