Summary

IMPPAT Phytochemical identifier: IMPHY005367

Phytochemical name: Diazepine

Synonymous chemical names:
diazepine

External chemical identifiers:
CID:166734, SureChEMBL:SCHEMBL221803

---

Chemical structure information

SMILES:
C1=CC=CC=NN1

InChI:
InChI=1S/C5H6N2/c1-2-4-6-7-5-3-1/h1-6H

InChIKey:
LRANPJDWHYRCER-UHFFFAOYSA-N

DeepSMILES:
C=CC=CC=NN7

Functional groups:
C1=CC=NNC=C1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC=NNC=C1

Scaffold Graph/Node level:
C1CCNNCC1

Scaffold Graph level:
C1CCCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazepines

ClassyFire Subclass: 1,2-diazepines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.708

---

Chemical structure download