Basic information
- CAS
1245643-15-5- Standard SMILES
CC(C)Cc1nn(C)c2nc[nH]c(=O)c12- InChIKey
WMTFEPPVWBOYES-UHFFFAOYSA-N- Molecular formula
- C10H14N4O
- Average molar mass
- 206.24 g/mol
Names & identifiers
- Preferred name
- 3-isobutyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
- IUPAC
- 1-methyl-3-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
- English name
- 3-isobutyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
- Molecular formula
- C10H14N4O
- Molecular weight
- 206.24
Names & synonyms
1245643-15-53-isobutyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one3-isobutyl-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one3-Isobutyl-1-methyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one1-methyl-3-(2-methylpropyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one1-METHYL-3-(2-METHYLPROPYL)-5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE3-Isobutyl-1-methyl-1,5-dihydropyrazolo[3,4-d]pyrimidin-4-oneDB-0138921822741-76-31,5-Dihydro-1-methyl-3-(2-methylpropyl)-4H-pyrazolo[3,4-d]pyrimidin-4-one4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-1-methyl-3-(2-methylpropyl)-
Database identifiers
- CAS
1245643-15-5
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 391.8 · 391.8±44.0 °C(Predicted)
- Density
- 1.32 · 1.32
- pka
- 0.81 · 0.81±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H410
- Precautionary statements
- 264 · P264-P273-P280-P337+P313-P391
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,GHS09
- Hazard statements
- H315-H319-H410
- Precautionary statements
- P264-P273-P280-P337+P313-P391
Chemistry & industry
Suppliers6 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州琬瑶生物科技有限公司051989185693 15312551983 · [email protected]
兰州华浩生物医药科技有限责任公司18189674620 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海智乾生物科技有限公司[email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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