Basic information
- CAS
26050-25-9- Standard SMILES
CCOc1cc(/C=N\Nc2nncn2N)ccc1N(CCCl)CCCl.Cl- InChIKey
ZZQROBGBQMPVQS-PEZBNFGJSA-N- Molecular formula
- C15H22Cl3N7O
- Average molar mass
- 422.7 g/mol
- Monoisotopic mass
- 421.095141
Names & identifiers
- Preferred name
- Benzaldehyde, (4-amino-4H-1,2,4-triazol-3-yl)hydrazone, monohydrochloride
- IUPAC
- 3-N-[(Z)-[4-[bis(2-chloroethyl)amino]-3-ethoxyphenyl]methylideneamino]-1,2,4-triazole-3,4-diamine;hydrochloride
Names & synonyms
26050-25-9DTXSID10712723NSC103784Benzaldehyde, (4-amino-4H-1,2,4-triazol-3-yl)hydrazone, monohydrochlorideNSC-1037843-[(2Z)-2-({4-[Bis(2-chloroethyl)amino]-3-ethoxyphenyl}methylidene)hydrazin-1-yl]-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/1)3-[(2Z)-2-({4-[Bis(2-chloroethyl)amino]-3-ethoxyphenyl}methylidene)hydrazinyl]-4H-1,2,4-triazol-4-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
26050-25-9- PubChem CID
- 54599331
- DTXSID
DTXSID10712723
Properties
Computed structural properties
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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