6-methyl-1H-pyrazolo[3,4-d]pyrimidine
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Basic information
- CAS
1276056-73-5- Standard SMILES
Cc1ncc2cn[nH]c2n1- InChIKey
DOMOUWJGODANHH-UHFFFAOYSA-N- Molecular formula
- C6H6N4
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.05924619
Names & identifiers
- Preferred name
- 6-methyl-1H-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 6-methyl-1H-pyrazolo[3,4-d]pyrimidine
- English name
- 6-methyl-1H-pyrazolo[3,4-d]pyrimidine
- Molecular formula
- C6H6N4
- Molecular weight
- 134.14
Names & synonyms
6-methyl-1H-pyrazolo[3,4-d]pyrimidine1276056-73-51H-Pyrazolo[3,4-d]pyrimidine, 6-methyl-MFCD18793429SCHEMBL3181459SCHEMBL7486559SCHEMBL7487251DOMOUWJGODANHH-UHFFFAOYSA-NDTXSID001288740CS-B0806AKOS0376497396-Methyl-1H-pyrazolo[34-d]pyrimidine
Show more names
CS-13533SY412949DB-428833F787946
Database identifiers
- CAS
1276056-73-5- PubChem CID
- 22115437
- DTXSID
DTXSID001288740
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Density
- 1.371 · 1.371±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 8.03 · 8.03±0.50(Predicted)
- Appearance
- Yellow to brown Solid
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
4 records
Compound notes
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