4-(((6-(4-(Aminomethyl)phenyl)-2-methyl-3-oxo-2,3-dihydropyridazin-4-yl)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid--hydrogen chloride (1/1)
Basic information
- CAS
150834-21-2- Standard SMILES
Cl.Cn1nc(-c2ccc(CN)cc2)cc(C(=O)NC2CCC(C(=O)O)CC2)c1=O- InChIKey
PUXOMOIZIJYWMD-UHFFFAOYSA-N- Molecular formula
- C20H25ClN4O4
- Average molar mass
- 420.9 g/mol
- Monoisotopic mass
- 420.156433
Names & identifiers
- Preferred name
- 4-(((6-(4-(Aminomethyl)phenyl)-2-methyl-3-oxo-2,3-dihydropyridazin-4-yl)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid--hydrogen chloride (1/1)
- IUPAC
- 4-[[6-[4-(aminomethyl)phenyl]-2-methyl-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid;hydrochloride
Names & synonyms
150834-21-2DTXSID809340714-(((6-(4-(Aminomethyl)phenyl)-2-methyl-3-oxo-2,3-dihydropyridazin-4-yl)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid--hydrogen chloride (1/1)4-{[{6-[4-(Aminomethyl)phenyl]-2-methyl-3-oxo-2,3-dihydropyridazin-4-yl}(hydroxy)methylidene]amino}cyclohexane-1-carboxylic acid--hydrogen chloride (1/1)RefChem:1069615DTXCID801362724Cyclohexanecarboxylic acid, 4-(((6-(4-(aminomethyl)phenyl)-2,3-dihydro-2-methyl-3-oxo-4-pyridazinyl)carbonyl)amino)-, monohydrochloride, trans-SCHEMBL8949029
Database identifiers
- CAS
150834-21-2- PubChem CID
- 3073591
- DTXSID
DTXSID80934071
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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