1,3-Dihydro-2h-imidazo[4,5-b]pyrazin-2-one
Basic information
- CAS
16328-63-5- Standard SMILES
O=c1[nH]c2nccnc2[nH]1- InChIKey
CGKLYWOFLUIKCX-UHFFFAOYSA-N- Molecular formula
- C5H4N4O
- Average molar mass
- 136.11 g/mol
- Monoisotopic mass
- 136.03851076
Names & identifiers
- Preferred name
- 1,3-Dihydro-2h-imidazo[4,5-b]pyrazin-2-one
- IUPAC
- 1,3-dihydroimidazo[4,5-b]pyrazin-2-one
- English name
- 2H-Imidazo[4,5-b]pyrazin-2-one, 1,3-dihydro-
- Molecular formula
- C5H4N4O
- Molecular weight
- 136.11
Names & synonyms
16328-63-51,3-dihydro-2h-imidazo[4,5-b]pyrazin-2-one1H-Imidazo[4,5-b]pyrazin-2(3H)-one1,3-dihydroimidazo[4,5-b]pyrazin-2-one2H-Imidazo[4,5-b]pyrazin-2-one, 1,3-dihydro-MFCD086694622H-Imidazo[4,5-b]pyrazin-2-one1h-imidazo[4,5-b]pyrazin-2-olNSC217339dihydro-imidazolopyrazinoneSCHEMBL247141SCHEMBL340668
Show more names
1,4-dihydro-2H-imidazo[4,5-b]pyrazin-2-one1,3-Dihydro-2H-imidazo[4,5-b]pyrazin-2-one - [D94429]1,3-dihydro-2H-imidazolebenzo[4,5-b]pyridineazine-2-one
SCHEMBL976118SCHEMBL2440219SCHEMBL2440226SCHEMBL30572345DTXSID60299352NSC129582NSC193442AKOS006291750
Database identifiers
- CAS
16328-63-5- PubChem CID
- 279243
- DTXSID
DTXSID60299352
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 338 · 338-340 °C
- Boiling point
- 245.1 · 245.1±23.0 °C(Predicted)
- Density
- 1.89 · 1.89±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -0.6 · -0.60±0.20(Predicted)
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- 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-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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