1H-Pyrazolo(3,4-d)pyrimidine

HCID 67499
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Basic information

CAS
271-80-7
Standard SMILES
c1ncc2cn[nH]c2n1
InChIKey
QUKPALAWEPMWOS-UHFFFAOYSA-N
Molecular formula
C5H4N4
Average molar mass
120.11 g/mol
Monoisotopic mass
120.04359613

Names & identifiers

Preferred name
1H-Pyrazolo(3,4-d)pyrimidine
IUPAC
1H-pyrazolo[3,4-d]pyrimidine
English name
1H-Pyrazolo[3,4-d]pyrimidine
Molecular formula
C5H4N4
Molecular weight
120.11

Names & synonyms

1h-pyrazolo[3,4-d]pyrimidine271-80-7Pyrazolo(3,4-d)pyrimidinepyrazolo[3,4-d]pyrimidine1H-Pyrazolo(3,4-d)pyrimidineDTXSID60181566RefChem:908345DTXCID001040572H-Pyrazolo[3,4-d]pyrimidine271-78-3MFCD06407902NSC 82206
Show more names
1H-Pyrazolo[3,4-d]pyrimidine (6CI,8CI,9CI)
NSC82206SCHEMBL77712,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraene2H-Pyrazolo[3,4-d]pyrimidine (8CI,9CI)SCHEMBL7772SCHEMBL156283SCHEMBL156284SCHEMBL156285

Database identifiers

CAS
271-80-7
PubChem CID
67499
DTXSID
DTXSID60181566
Nikkaji
J1.517.897C

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
54.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
213 · 213-214 °C
Boiling point
265.1 · 265.1±23.0 °C(Predicted)
Density
1.61 · 1.61±0.1 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
pka
11.53 · 11.53±0.20(Predicted)
Appearance
Off-white to yellow Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers49 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南京先景医药科技有限公司025-52760886 13073455575 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Aladdin Scientific[email protected]

Related reactions

4 records
New reaction record

Compound notes

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