Basic information
- CAS
82585-96-4- Standard SMILES
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(Cl)cc1)CN2- InChIKey
SIWSRDHPDUYAIW-UHFFFAOYSA-N- Molecular formula
- C16H16ClN5O2
- Average molar mass
- 345.78 g/mol
- Monoisotopic mass
- 345.0992525
Names & identifiers
- Preferred name
- ethyl N-[5-amino-3-(4-chlorophenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
- IUPAC
- ethyl N-[5-amino-3-(4-chlorophenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Names & synonyms
82585-96-4NSC281295CHEMBL9635ethyl N-[5-amino-3-(4-chlorophenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamateDTXSID001002803NSC 281295NSC-281295Ethyl (5-amino-3-(4-chlorophenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)carbamateN-[5-Amino-3-(4-chlorophenyl)(1,2-dihydropyridino[5,4-b]pyrazin-7-yl)]ethoxycarboxamideCarbamic acid, (5-amino-3-(4-chlorophenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)-, ethyl esterEthyl hydrogen [5-amino-3-(4-chlorophenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbonimidate
Database identifiers
- CAS
82585-96-4- PubChem CID
- 100285
- DTXSID
DTXSID001002803- ChEMBL
CHEMBL9635
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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