4,7-Dihydro-3H-imidazo[4,5-d][1,3]diazepin-8-one
Basic information
- CAS
72079-77-7- Standard SMILES
O=C1CN=CNc2nc[nH]c21- InChIKey
ASIWDXWEDFFGPK-UHFFFAOYSA-N- Molecular formula
- C6H6N4O
- Average molar mass
- 150.14 g/mol
- Monoisotopic mass
- 150.05416083
Names & identifiers
- Preferred name
- 4,7-Dihydro-3H-imidazo[4,5-d][1,3]diazepin-8-one
- IUPAC
- 4,7-dihydro-1H-imidazo[4,5-d][1,3]diazepin-8-one
- English name
- 4,7-Dihydro-imidazole[4,5-d]1,3-diazepine-8(1H)-one
- Molecular formula
- C6H6N4O
- Molecular weight
- 150.14
Names & synonyms
72079-77-74,7-Dihydro-imidazole[4,5-d]1,3-diazepine-8(1H)-one4,7-Dihydro-3H-imidazo[4,5-d][1,3]diazepin-8-one4,7-dihydro-1H-imidazo[4,5-d][1,3]diazepin-8-one4,7-DIHYDROIMIDAZO[4,5-D][1,3]DIAZEPIN-8(1H)-ONE1H,4H,7H,8H-IMIDAZO[4,5-D][1,3]DIAZEPIN-8-ONESCHEMBL5678380SCHEMBL17425088DTXSID80458681AKOS006230327AKOS015961073AB21035
Show more names
5-d][1IMidazo[43]diazepin-8(3H)-one4,7-dihydroimidazo[4,5-d][1,3]diazepin-8(3H)-oneIMidazo[4,5-d][1,3]diazepin-8(3H)-one, 4,7-dihydro-
AC-26361CS-0002390P10309Imidazo[4,5-d][1,3]diazepin-8(1H)-one, 4,7-dihydro-
Database identifiers
- CAS
72079-77-7- PubChem CID
- 11206239
- DTXSID
DTXSID80458681- Nikkaji
- J1.690.740E
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 486 · 486.0±55.0 °C(Predicted)
- Density
- 1.7 · 1.70
- storage temp.
- Store at Room Tem.
- pka
- 9.92 · 9.92±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
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Related reactions
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Compound notes
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