Pyrido(3,4-d)pyridazine
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Basic information
- CAS
253-53-2- Standard SMILES
c1cc2cnncc2cn1- InChIKey
IHYJXEQIZYROGA-UHFFFAOYSA-N- Molecular formula
- C7H5N3
- Average molar mass
- 131.13 g/mol
- Monoisotopic mass
- 131.04834717
Names & identifiers
- Preferred name
- Pyrido(3,4-d)pyridazine
- IUPAC
- pyrido[3,4-d]pyridazine
- English name
- PYRIDO[3,4-D]PYRIDAZINE
- Molecular formula
- C7H5N3
- Molecular weight
- 131.13
Names & synonyms
Pyrido[3,4-d]pyridazinePyrido(3,4-d)pyridazine253-53-2CCRIS 7340DTXSID00179942NSC 526540RefChem:177697DTXCID60102433UE3Q3PP4G2NSC-526540NSC526540UNII-UE3Q3PP4G2
Show more names
SCHEMBL89121SCHEMBL3897124SCHEMBL3897125SCHEMBL3941440SCHEMBL3943189SCHEMBL3945817SCHEMBL29559681SCHEMBL30571321
Database identifiers
- CAS
253-53-2- PubChem CID
- 160448
- DTXSID
DTXSID00179942- UNII
- UE3Q3PP4G2
- Nikkaji
- J517.888F
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Melting point
- 174 °C · 174 °C(Solv: benzene (71-43-2))
- Boiling point
- 378.8 · 378.8±15.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 3.6 · 3.60±0.10(Predicted)
- FDA UNII
- 3 Q3PP4G2 · UE3Q3PP4G2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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