Pyrrolidin-1-yl(1H-1,2,3-triazol-1-yl)methanone

C₇H₁₀N₄OCAS 1312782-34-5166.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₀N₄O
Molar mass: 166.18 g/mol
Exact mass: 166.0855 Da
logP: 0.34Crippen estimate
Polar surface area: 51.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

1312782-34-5

SMILES

C1CCN(C1)C(=O)N2C=CN=N2

InChIKey

IFXGAMVQLDJRBQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N4O/c12-7(10-4-1-2-5-10)11-6-3-8-9-11/h3,6H,1-2,4-5H2

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Names and synonyms

1 names

Methanone, 1-pyrrolidinyl-1H-1,2,3-triazol-1-yl-

Work with Pyrrolidin-1-yl(1H-1,2,3-triazol-1-yl)methanone

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-Pyrrolidinecarbonyl chloride1192-63-831 % similar N-Acetylpyrrolidine4030-18-631 % similar 2-Chloro-1-(1-pyrrolidinyl)ethanone20266-00-630 % similar 1-Acetylpiperidine618-42-830 % similar

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

Same formula

3,4-Diaminobenzhydrazide103956-09-8

Elsewhere

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