5,11-Dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one

C12H9N3OCAS 885-70-1211.22 g/mol

Open in Covalent MOL file
ONHNNH
Secondary amine

Properties

Molecular formula
C12H9N3O
Molar mass
211.22 g/mol
Exact mass
211.0746 Da
Melting point
183 °C
logP
2.77Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
885-70-1
SMILES
OC1=Nc2cccnc2Nc2ccccc21
InChIKey
MIRBIZDDMSFTKY-UHFFFAOYSA-N
InChI
InChI=1S/C12H9N3O/c16-12-8-4-1-2-5-9(8)14-11-10(15-12)6-3-7-13-11/h1-7H,(H,13,14)(H,15,16)

Weigh it out

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

Names and synonyms

4 names
  • 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 5,11-dihydro-
  • 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 1,5-dihydro-
  • LS 75
  • 5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one

Work with 5,11-Dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one

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

8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one50892-62-149 % similar Boscalid188425-85-643 % similar Dibenzo[b,f][1,4]thiazepin-11(10H)-one3159-07-740 % similar Clonixin17737-65-440 % similar 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione4664-00-040 % similar Benz(cd)indol-2(1H)-one130-00-739 % similar Flunixin38677-85-937 % similar Pirenzepine hydrochloride29868-97-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-(2,2-Dicyanoethenyl)phenyl)acetamide26088-79-9 Milrinone78415-72-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook