1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde

C9H17N3O2Si — CID 140830721

IUPAC1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cnc(C=O)n1
InChIInChI=1S/C9H17N3O2Si/c1-15(2,3)5-4-14-8-12-7-10-9(6-13)11-12/h6-7H,4-5,8H2,1-3H3
InChIKeyIHLFHPGKBLDNLM-UHFFFAOYSA-N
MW227.34 g/mol
LogP1.40
Rot. Bonds6

About 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde

1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde (PubChem CID 140830721) has the molecular formula C9H17N3O2Si and a molecular weight of 227.34 g/mol. Its IUPAC name is 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde
PubChem CID140830721
Molecular FormulaC9H17N3O2Si
Molecular Weight227.34 g/mol
Exact Mass227.11
IUPAC Name1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cnc(C=O)n1
InChIInChI=1S/C9H17N3O2Si/c1-15(2,3)5-4-14-8-12-7-10-9(6-13)11-12/h6-7H,4-5,8H2,1-3H3
InChIKeyIHLFHPGKBLDNLM-UHFFFAOYSA-N
XLogP1.40
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
CID 162471260
1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde
CID 164719027
1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 22486277
2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 162718102
1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde
CID 91103274
ethyl 2-diazo-2-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]acetate
CID 166028164
2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511
1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 169159905
5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 58522443
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 87132869
4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde
CID 76695337
1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
CID 90030095

Frequently Asked Questions

What is the IUPAC name of 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde?
The IUPAC name of 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde (CID 140830721) is 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde.
What is the SMILES notation for 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde?
The canonical SMILES for 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde is C[Si](C)(C)CCOCn1cnc(C=O)n1.
What is the InChIKey of 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde?
The InChIKey is IHLFHPGKBLDNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2Si/c1-15(2,3)5-4-14-8-12-7-10-9(6-13)11-12/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde?
1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde has a molecular weight of 227.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde is sourced from PubChem (CID 140830721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).