1-Trimethylsilyl-1,2,4-triazole

C₅H₁₁N₃SiCAS 18293-54-4141.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₁N₃Si
Molar mass: 141.25 g/mol
Exact mass: 141.0722 Da
Density: 0.99 g/mL
Boiling point: 74 °C (at 12 Torr)
logP: 0.96Crippen estimate
Polar surface area: 30.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 105 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

18293-54-4

SMILES

C[Si](C)(C)n1cncn1

InChIKey

WPSPBNRWECRRPK-UHFFFAOYSA-N

InChI

InChI=1S/C5H11N3Si/c1-9(2,3)8-5-6-4-7-8/h4-5H,1-3H3

Weigh it out

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Names and synonyms

5 names

1H-1,2,4-Triazole, 1-(trimethylsilyl)-
1-(Trimethylsilyl)-1H-1,2,4-triazole
N-(Trimethylsilyl)triazole
1-(Trimethylsilyl)triazole
1-Trimethylsilyl-1H-1,2,4-triazole

Work with 1-Trimethylsilyl-1,2,4-triazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Methyl-1,2,4-triazole6086-21-140 % similar (Trimethylsilyl)imidazole18156-74-636 % similar Flusilazole85509-19-934 % similar Bis(1H-1,2,4-triazol-1-yl)methanone41864-22-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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