Basic information
- CAS
65882-62-4- Standard SMILES
O=c1cnc2cnc(=O)[nH]c2[nH]1- InChIKey
JZKLCHHLYGNHDU-UHFFFAOYSA-N- Molecular formula
- C6H4N4O2
- Average molar mass
- 164.12 g/mol
- Monoisotopic mass
- 164.03342538
Names & identifiers
- Preferred name
- 2,7(1H,8H)-Pteridinedione
- IUPAC
- 1,8-dihydropteridine-2,7-dione
- English name
- 2,7(1H,8H)-PTERIDINEDIONE
- Molecular formula
- C6H4N4O2
- Molecular weight
- 164.12156
Names & synonyms
2,7(1H,8H)-Pteridinedione65882-62-4DTXSID00344355RefChem:248683DTXCID60295430JZKLCHHLYGNHDU-UHFFFAOYSA-N1,8-dihydropteridine-2,7-dionePteridine-2,7(1H,8H)-dionePteridine-2,7(1H,3H)-dione
Database identifiers
- CAS
65882-62-4- PubChem CID
- 596180
- DTXSID
DTXSID00344355- Nikkaji
- J1.397.389J
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 291.56 °C · 291.56°C (rough estimate)
- Density
- 1.5129 · 1.5129 (rough estimate)
- refractive index
- 1.69 · 1.6900 (estimate)
- Water Solubility
- 9.901 g/L · 9.901g/L(100 ºC)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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