Basic information
- CAS
77966-95-1- Standard SMILES
Cc1ccc(-c2cnnc(NNC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1.Cl- InChIKey
WCTVYHFUCVMFGN-UHFFFAOYSA-N- Molecular formula
- C21H26ClN5O
- Average molar mass
- 399.9 g/mol
- Monoisotopic mass
- 399.1825882
Names & identifiers
- Preferred name
- 1-Adamantanecarboxylic acid, 2-(5-(p-tolyl)-3-as-triazinyl)hydrazide, hydrochloride
- IUPAC
- N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]adamantane-1-carbohydrazide;hydrochloride
Names & synonyms
77966-95-11-Adamantanecarboxylic acid, 2-(5-(p-tolyl)-3-as-triazinyl)hydrazide, hydrochlorideTricyclo(3.3.1.13,7)decane-1-carboxylic acid, 2-(5-(4-methylphenyl)-1,2,4-triazin-3-yl)hydrazide, hydrochlorideRefChem:227379CHEMBL3247961DTXSID10999193N-[5-(4-Methylphenyl)-1,2,4-triazin-3-yl]adamantane-1-carbohydrazonic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
77966-95-1- PubChem CID
- 64503
- DTXSID
DTXSID10999193- ChEMBL
CHEMBL3247961
Properties
Computed structural properties
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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