Basic information
- CAS
3614-56-0- Standard SMILES
CC1=NN(CCc2ccncc2)C(=O)CC1- InChIKey
NSLJAVZPTLLIER-UHFFFAOYSA-N- Molecular formula
- C12H15N3O
- Average molar mass
- 217.27 g/mol
- Monoisotopic mass
- 217.12151211
Names & identifiers
- Preferred name
- 3(2H)-Pyridazinone, 4,5-dihydro-6-methyl-2-(2-(4-pyridyl)ethyl)-
- IUPAC
- 6-methyl-2-(2-pyridin-4-ylethyl)-4,5-dihydropyridazin-3-one
- English name
- 4,5-Dihydro-6-methyl-2-[2-(4-pyridyl)ethyl]-3(2H)-pyridazinone
- Molecular formula
- C12H15N3O
- Molecular weight
- 217.27
Names & synonyms
BRN 0882718U-3203614-56-03(2H)-Pyridazinone, 4,5-dihydro-6-methyl-2-(2-(4-pyridyl)ethyl)-DTXSID901897174,5-Dihydro-6-methyl-2-(2-(4-pyridyl)ethyl)-3(2H)-pyridazinone5-24-01-00368 (Beilstein Handbook Reference)4,5-Dihydro-6-methyl-2-[2-(4-pyridyl)ethyl]-3(2H)-pyridazinoneRefChem:269543DTXCID501122086-methyl-2-[2-(pyridin-4-yl)ethyl]-4,5-dihydropyridazin-3(2H)-one3(2H)-Pyridazinone, 4,5-dihydro-6-methyl-2-[2-(4-pyridinyl)ethyl]-
Database identifiers
- CAS
3614-56-0- PubChem CID
- 77162
- DTXSID
DTXSID90189717- Nikkaji
- J78.862G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 92.5 · 92.5-93.0 °C
- Boiling point
- 379.5 · 379.5±44.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 5.82 · 5.82±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…