1,1-Dimethylethyl 1H-1,2,4-triazole-1-carboxylate

C₇H₁₁N₃O₂CAS 41864-24-8169.18 g/mol

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Properties

Molecular formula: C₇H₁₁N₃O₂
Molar mass: 169.18 g/mol
Exact mass: 169.0851 Da
logP: 1.06Crippen estimate
Polar surface area: 57.0 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 0

Identifiers

CAS number

41864-24-8

SMILES

CC(C)(C)OC(=O)n1cncn1

InChIKey

XWUFRDJEUOAMNW-UHFFFAOYSA-N

InChI

InChI=1S/C7H11N3O2/c1-7(2,3)12-6(11)10-5-8-4-9-10/h4-5H,1-3H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

1H-1,2,4-Triazole-1-carboxylic acid, 1,1-dimethylethyl ester
1-Boc-1H-1,2,4-triazole

Work with 1,1-Dimethylethyl 1H-1,2,4-triazole-1-carboxylate

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-(tert-Butoxycarbonyl)imidazole49761-82-251 % similar 1-Boc-4-bromopyrazole1150271-23-050 % similar Bis(1H-1,2,4-triazol-1-yl)methanone41864-22-647 % similar 1,1-Dimethylethyl 5-amino-1H-indazole-1-carboxylate129488-10-437 % similar 1,1-Dimethylethyl 5-amino-1H-indole-1-carboxylate166104-20-733 % similar [1,2,4]Triazole-1-carboxamidine hydrochloride19503-26-533 % similar tert-Butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate1094070-77-531 % similar Uniconazole83657-22-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Methyl-L-histidine332-80-9 3-Methylhistidine368-16-1

Elsewhere

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