1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine

C8H18N4OSi — CID 67170439

IUPAC1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine
SMILESC[Si](C)(C)CCOCn1cnc(N)n1
InChIInChI=1S/C8H18N4OSi/c1-14(2,3)5-4-13-7-12-6-10-8(9)11-12/h6H,4-5,7H2,1-3H3,(H2,9,11)
InChIKeyFDYBRMAUMVTGHZ-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.17
Rot. Bonds5

About 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine

1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine (PubChem CID 67170439) has the molecular formula C8H18N4OSi and a molecular weight of 214.34 g/mol. Its IUPAC name is 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine
PubChem CID67170439
Molecular FormulaC8H18N4OSi
Molecular Weight214.34 g/mol
Exact Mass214.12
IUPAC Name1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine
SMILESC[Si](C)(C)CCOCn1cnc(N)n1
InChIInChI=1S/C8H18N4OSi/c1-14(2,3)5-4-13-7-12-6-10-8(9)11-12/h6H,4-5,7H2,1-3H3,(H2,9,11)
InChIKeyFDYBRMAUMVTGHZ-UHFFFAOYSA-N
XLogP1.17
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine (CID 67170439) is 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine is C[Si](C)(C)CCOCn1cnc(N)n1.
What is the InChIKey of 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine?
The InChIKey is FDYBRMAUMVTGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4OSi/c1-14(2,3)5-4-13-7-12-6-10-8(9)11-12/h6H,4-5,7H2,1-3H3,(H2,9,11).
What are the key properties of 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine?
1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine has a molecular weight of 214.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 67170439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).