chempirical

Cu-cpt-8M

C14H12N4OCAS 125079-83-6252.28 g/mol

Open in Covalent MOL file
NNNONH2
Amide

Properties

Molecular formula
C14H12N4O
Molar mass
252.28 g/mol
Exact mass
252.1011 Da
logP
1.80Crippen estimate
Polar surface area
73.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
125079-83-6
SMILES
CC1=CC(=CC=C1)C2=CC=NC3=C(C=NN23)C(=O)N
InChIKey
HNKGGVGQAVODNJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N4O/c1-9-3-2-4-10(7-9)12-5-6-16-14-11(13(15)19)8-17-18(12)14/h2-8H,1H3,(H2,15,19)

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Work with Cu-cpt-8M

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

Zaleplon151319-34-539 % similar 4-Methyl-2-phenylpyridine3475-21-633 % similar 3,3′-Dimethylbiphenyl612-75-933 % similar 3-Methylbiphenyl643-93-632 % similar Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid ethyl ester115932-00-831 % similar 3′-Methylacetophenone585-74-031 % similar 4-Methylbenzamide619-55-631 % similar 5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid956317-36-531 % similar

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

Same formula

2,5-Bis(4-aminophenyl)-1,3,4-oxadiazole2425-95-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook