Basic information
- CAS
135696-54-7- Standard SMILES
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(OC)cc1)C(C)N2- InChIKey
BLXWXLHNURPYOD-UHFFFAOYSA-N- Molecular formula
- C18H21N5O3
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.16443955
Names & identifiers
- Preferred name
- (5-Amino-1,2-dihydro-3-(4-methoxyphenyl)-2-methylpyrido(3,4-b)pyrazin-7-yl)carbamic acid ethyl ester
- IUPAC
- ethyl N-[5-amino-3-(4-methoxyphenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Names & synonyms
135696-54-7(5-Amino-1,2-dihydro-3-(4-methoxyphenyl)-2-methylpyrido(3,4-b)pyrazin-7-yl)carbamic acid ethyl esterCHEMBL106002SCHEMBL13327457DTXSID30929114ethyl N-[5-amino-3-(4-methoxyphenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamateCarbamic acid,5-amino-1,2-dihydro-2-methyl-3-(4-methoxyphenyl)pyrido[3,4-b]pyrazin-7-yl,ethyl ester,hydrate [10:3]Ethyl hydrogen [5-amino-3-(4-methoxyphenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbonimidate
Database identifiers
- CAS
135696-54-7- PubChem CID
- 459864
- DTXSID
DTXSID30929114- ChEMBL
CHEMBL106002- Nikkaji
- J448.628E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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