1H-Pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione
Basic information
- CAS
40769-81-1- Standard SMILES
O=c1[nH]c(=O)c2[nH]ncc2[nH]1- InChIKey
HUUOMBLAKHBLFV-UHFFFAOYSA-N- Molecular formula
- C5H4N4O2
- Average molar mass
- 152.11 g/mol
- Monoisotopic mass
- 152.03342538
Names & identifiers
- Preferred name
- 1H-Pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dione
- IUPAC
- 1,4-dihydropyrazolo[4,5-d]pyrimidine-5,7-dione
- English name
- 1H-Pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
- Molecular formula
- C5H4N4O2
- Molecular weight
- 152.11
Names & synonyms
40769-81-11H-Pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dioneDTXSID906179491H-Pyrazolo(4,3-d)pyrimidine-5,7(4H,6H)-dioneRefChem:1058513DTXCID705687031H-PYRAZOLO[4,3-D]PYRIMIDINE-5,7-DIOL135787-30-32h-pyrazolo[4,3-d]pyrimidine-5,7(4h,6h)-dione1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione1061224-66-51,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dione
Show more names
Compound FL0127Pyrazolopyrimidine-5,7-dione1,4-Dihydro-pyrazolo[4,3-d]pyrimidine-5,7-dione
MFCD16620660MFCD00778717135787-29-0135787-31-41,4-dihydro-5H-pyrazolo[4,3-d]pyrimidine-5,7(6H)-dione5H-Pyrazolo[4orb3169884SCHEMBL3320036
Database identifiers
- CAS
40769-81-1- PubChem CID
- 21780898
- DTXSID
DTXSID90617949- Nikkaji
- J1.619.803J、J2.627.933J
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Density
- 1.637 · 1.637±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 10.29 · 10.29±0.20(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
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
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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