chempirical

5-Cyanopyrimidine

C5H3N3CAS 40805-79-6105.10 g/mol

Open in Covalent MOL file
NNN
Nitrile

Properties

Molecular formula
C5H3N3
Molar mass
105.10 g/mol
Exact mass
105.0327 Da
logP
0.35Crippen estimate
Polar surface area
49.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
40805-79-6
SMILES
C1=C(C=NC=N1)C#N
InChIKey
XVIAPHVAGFEFFN-UHFFFAOYSA-N
InChI
InChI=1S/C5H3N3/c6-1-5-2-7-4-8-3-5/h2-4H

Weigh it out

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

Names and synonyms

1 names
  • Pyrimidine-5-carbonitrile

Work with 5-Cyanopyrimidine

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

Nicotinonitrile100-54-952 % similar 5-Hydroxypyridine-3-carbonitrile152803-24-248 % similar 5-Bromonicotinonitrile35590-37-548 % similar 5-Methyl-3-pyridinecarbonitrile42885-14-348 % similar 5-Fluoro-3-pyridinecarbonitrile696-42-448 % similar 1H-Pyrazole-4-carbonitrile31108-57-348 % similar 4-Cyanopyridine100-48-148 % similar 1,4-Dicyanobenzene623-26-745 % similar

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

Same formula

2-Pyrimidinecarbonitrile14080-23-0 Pyrazinecarbonitrile19847-12-2 Pyridazine-3-carbonitrile53896-49-4 4-Pyridazinecarbonitrile68776-62-5

Elsewhere

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