Basic information
- CAS
82585-91-9- Standard SMILES
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)CN2- InChIKey
RLHKYVHZNZMLRH-UHFFFAOYSA-N- Molecular formula
- C16H17N5O2
- Average molar mass
- 311.34 g/mol
- Monoisotopic mass
- 311.1382248
Names & identifiers
- Preferred name
- Carbamic acid, 5-amino-1,2-dihydro-3-phenylpyrido(3,4-b)pyrazin-7-yl-, ethyl ester
- IUPAC
- ethyl N-(5-amino-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
Names & synonyms
82585-91-9NSC 330770NSC330770NSC-330770MLS0027018193O08W2P62UNCIMech_000617BRN 4207077(5-Amino-1,2-dihydro-3-phenylpyrido(3,4-b)pyrazin-7-yl)-, carbamic acid, ethyl esterCarbamic acid, 5-amino-1,2-dihydro-3-phenylpyrido(3,4-b)pyrazin-7-yl-, ethyl esterCHEMBL65190UNII-3O08W2P62U
Show more names
orb3135683SCHEMBL10788748DTXSID80231890CCG-35590ethyl N-(5-amino-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamateNCI60_002896PD011881SMR001565412
Database identifiers
- CAS
82585-91-9- PubChem CID
- 54888
- DTXSID
DTXSID80231890- ChEMBL
CHEMBL65190- UNII
- 3O08W2P62U
- Nikkaji
- J351.934A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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