Basic information
- CAS
25680-53-9- Standard SMILES
CC(C)Cc1ncc[nH]c1=O- InChIKey
HDLZGLIOVZJBEE-UHFFFAOYSA-N- Molecular formula
- C8H12N2O
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.09496301
Names & identifiers
- Preferred name
- 3-Isobutyl-2(1h)-pyrazinon
- IUPAC
- 3-(2-methylpropyl)-1H-pyrazin-2-one
- English name
- 3-Isobutyl-1H-pyrazin-2-one
- Molecular formula
- C8H12N2O
- Molecular weight
- 152.19
Names & synonyms
25680-53-93-isobutyl-2(1h)-pyrazinon3-Isobutyl-1H-pyrazin-2-one3-Isobutylpyrazin-2(1H)-one3-Isobutylpyrazin-2-ol3-(2-methylpropyl)-1H-pyrazin-2-one3-(2-Methylpropyl)-1,2-dihydropyrazin-2-oneMFCD082776223- ISOBUTYL-2-HYDROXY-PYRAZINE2-isobutyl-3-hydroxypyrazine3-Isobutyldihydropyrazin-2-one3-Isobutyl-2-Hydroxy-Pyrazine
Show more names
2(1H)-Pyrazinone, 3-(2-methylpropyl)-
SCHEMBL3986519SCHEMBL28235835DTXSID703414923-Isobutyl-2(1H)-pyrazinone #HDLZGLIOVZJBEE-UHFFFAOYSA-NMFCD32196639AKOS0052560563-(2-methylpropyl)pyrazin-2(1H)-one
Database identifiers
- CAS
25680-53-9- PubChem CID
- 573446
- DTXSID
DTXSID70341492- Nikkaji
- J3.765.281D、J530.240D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 11.72 · 11.72±0.40(Predicted)
Chemistry & industry
Suppliers2 total
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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