5-Oxo-4,5-dihydropyrazine-2-carbonitrile
Basic information
- CAS
134510-05-7- Standard SMILES
N#Cc1c[nH]c(=O)cn1- InChIKey
FBBKFQQRDQALLM-UHFFFAOYSA-N- Molecular formula
- C5H3N3O
- Average molar mass
- 121.1 g/mol
- Monoisotopic mass
- 121.02761173
Names & identifiers
- Preferred name
- 5-Oxo-4,5-dihydropyrazine-2-carbonitrile
- IUPAC
- 6-oxo-1H-pyrazine-3-carbonitrile
- English name
- 2-Hydroxy-5-(cyano)pyrazine
- Molecular formula
- C5H3N3O
- Molecular weight
- 121.1
Names & synonyms
134510-05-75-oxo-4,5-dihydropyrazine-2-carbonitrileRefChem:537573878-442-65-Hydroxypyrazine-2-carbonitrile2-Pyrazinecarbonitrile, 4,5-dihydro-5-oxo-6-oxo-1H-pyrazine-3-carbonitrile5-cyanopyrazin-2-oneSCHEMBL1558076SCHEMBL7744477FBBKFQQRDQALLM-UHFFFAOYSA-NAKOS011143591
Show more names
2-Hydroxy-5-(cyano)pyrazine
EN300-58912
Database identifiers
- CAS
134510-05-7- PubChem CID
- 10176136
- EC Number
- 878-442-6
- Nikkaji
- J1.521.963G
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
2 records
Compound notes
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