Basic information
- CAS
114794-30-8- Standard SMILES
Cc1nc2[nH][nH]c(=O)c2nc1C- InChIKey
YYDKODLMBYYMRY-UHFFFAOYSA-N- Molecular formula
- C7H8N4O
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.06981089
Names & identifiers
- Preferred name
- 3-Hydroxy-5,6-dimethyl-1H-pyrazolo-(3,4B)-pyrazine
- IUPAC
- 5,6-dimethyl-1,2-dihydropyrazolo[3,4-b]pyrazin-3-one
Names & synonyms
114794-30-8RefChem:5024473-Hydroxy-5,6-dimethyl-1H-pyrazolo-(3,4B)-pyrazine654-632-25,6-dimethyl-1H-pyrazolo[3,4-b]pyrazin-3-ol5,6-dimethyl-1,2-dihydropyrazolo[3,4-b]pyrazin-3-oneNSC521874AKOS024323032NSC-521874ST504431495,6-Dimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyrazin-3-one
Database identifiers
- CAS
114794-30-8- PubChem CID
- 437580
- EC Number
- 654-632-2
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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