4H-Pyrido(2,3-f)-1,2,3,5-tetrazepin-4-one, 3-(2-chloroethyl)-3,5-dihydro-5-methyl-
Basic information
- CAS
209860-28-6- Standard SMILES
CN1C(=O)N(CCCl)N=Nc2cccnc21- InChIKey
DYDZDWWDBMLUEA-UHFFFAOYSA-N- Molecular formula
- C9H10ClN5O
- Average molar mass
- 239.66 g/mol
- Monoisotopic mass
- 239.0573877
Names & identifiers
- Preferred name
- 4H-Pyrido(2,3-f)-1,2,3,5-tetrazepin-4-one, 3-(2-chloroethyl)-3,5-dihydro-5-methyl-
- IUPAC
- 3-(2-chloroethyl)-5-methylpyrido[2,3-f][1,2,3,5]tetrazepin-4-one
Names & synonyms
209860-28-64H-Pyrido(2,3-f)-1,2,3,5-tetrazepin-4-one, 3-(2-chloroethyl)-3,5-dihydro-5-methyl-DTXSID301751993-(2-Chloroethyl)-3,5-dihydro-5-methyl-4H-pyrido(2,3-f)-1,2,3,5-tetrazepin-4-one3-(2-chloroethyl)-5-methyl-3,5-dihydro-4H-pyrido[2,3-f][1,2,3,5]tetrazepin-4-one
Database identifiers
- CAS
209860-28-6- PubChem CID
- 154156
- DTXSID
DTXSID30175199- Nikkaji
- J960.417K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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