chempirical

2-tert-Butyl-2H-1,2,3,4-tetrazole-5-carboxylic acid

C6H10N4O2CAS 1547646-28-5170.17 g/mol

Open in Covalent MOL file
NNNNOOH
Carboxylic acid

Properties

Molecular formula
C6H10N4O2
Molar mass
170.17 g/mol
Exact mass
170.0804 Da
logP
0.13Crippen estimate
Polar surface area
80.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
1547646-28-5
SMILES
CC(C)(C)N1N=C(N=N1)C(=O)O
InChIKey
MKXPRLZWGWNEAZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N4O2/c1-6(2,3)10-8-4(5(11)12)7-9-10/h1-3H3,(H,11,12)

Weigh it out

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Work with 2-tert-Butyl-2H-1,2,3,4-tetrazole-5-carboxylic acid

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

1,2,4-Triazole-3-carboxylic acid4928-87-431 % similar 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid113100-53-130 % similar 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-730 % similar 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-230 % similar 3,5-Bis(1,1-dimethylethyl)benzoic acid16225-26-630 % similar 5-tert-Butylisophthalic acid2359-09-330 % similar Para-tert-butylbenzoic acid98-73-730 % similar

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

Same formula

5,6-Diamino-1,3-dimethyluracil5440-00-6

Elsewhere

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