Basic information
- CAS
82585-94-2- Standard SMILES
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(C)c(C)c1)CN2- InChIKey
PEGVPRYRLHHTNT-UHFFFAOYSA-N- Molecular formula
- C18H21N5O2
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.16952493
Names & identifiers
- Preferred name
- Carbamic acid, (5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)-, ethyl ester
- IUPAC
- ethyl N-[5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Names & synonyms
82585-94-2Carbamic acid, (5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)-, ethyl esterEthyl (5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)carbamateEthyl [5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamateNSC344271CHEMBL9668SCHEMBL13327562DTXSID60231893NSC 344271NSC-344271ethyl N-[5-amino-3-(3,4-dimethylphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamateDS-007437
Show more names
CARBAMIC ACID,[5-AMINO-3-(3,4-DIMETHYLPHENYL)-1,2-DIHYDROPYRIDO[3,4-B]PYRAZIN-7-YL]-, ETHYLESTER (9CI)Carbamic acid,5-amino-1,2-dihydro-3-(3',4'- dimethylphenyl)pyrido[3,4-b]pyrazin-7-yl,ethyl ester, ethanolate [1:1]
Database identifiers
- CAS
82585-94-2- PubChem CID
- 100679
- DTXSID
DTXSID60231893- ChEMBL
CHEMBL9668
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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