1,4-Diazepine

1,4-Diazepine is a diazepine. It is a core element in the structure of benzodiazepines and thienodiazepines.

1,4-Diazepine

Names
IUPAC names Tautomer with N-H bond: 1H-1,4-diazepine (the structure shown above) Tautomer without N-H bond: 2H-1,4-diazepine
Identifiers
CAS Number	334-23-6 N 292-04-6
3D model (JSmol)	Interactive image Interactive image
ChemSpider	10629939 Y
PubChem CID	12312963 21940662
CompTox Dashboard (EPA)	DTXSID60487414
InChI InChI=1S/C5H6N2/c1-2-6-4-5-7-3-1/h1-4H,5H2 Y Key: JTDPQPJEFUAAGO-UHFFFAOYSA-N Y InChI=1/C5H6N2/c1-2-6-4-5-7-3-1/h1-4H,5H2 Key: JTDPQPJEFUAAGO-UHFFFAOYAC
SMILES C1C=NC=CC=N1 C1=C\C=N/C\C=N1
Properties
Chemical formula	C5H6N2
Molar mass	94.11454
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is YN ?) Infobox references