ethyl N-(5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
Basic information
- CAS
122293-95-2- Standard SMILES
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)C(C)N2- InChIKey
XXBDOTXPQDVHIP-UHFFFAOYSA-N- Molecular formula
- C17H19N5O2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.15387487
Names & identifiers
- Preferred name
- ethyl N-(5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
- IUPAC
- ethyl N-(5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
- English name
- ethyl N-(5-amino-9-methyl-8-phenyl-4,7,10-triazabicyclo[4.4.0]deca-1,3 ,5,7-tetraen-3-yl)carbamate
- Molecular formula
- C17H19N5O2
- Molecular weight
- 325.37
Names & synonyms
83269-10-7ethyl N-(5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamateEthyl (5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamateNSC 350386NSC 613862;(S)-(-)-NSC 613862(5-Amino-1,2-dihydro-2-methyl-3-phenylpyrido(3,4-b)pyrazin-7-yl)carbamic acid ethyl esterCHEMBL65189SCHEMBL13342693DTXSID70924128Carbamic acid, (5-amino-1,2-dihydro-2-methyl-3-phenylpyrido(3,4-b)pyrazin-7-yl)-, ethyl esterethyl 5-amino-1,2-dihydro-2-methyl-3phenyl-pyrido[3,4-b]pyrazin-7-ylcarbamate122293-95-2
Show more names
N-[(5-Amino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazin)-7-yl]carbamic acid ethyl ester(2S)-(5-amino-1,2-dihydro-2-methyl-3-phenylpyrido(3,4-b)pyrazin-7-yl)-carbamic acid, ethyl esterethyl N-(5-amino-9-methyl-8-phenyl-4,7,10-triazabicyclo[4.4.0]deca-1,3 ,5,7-tetraen-3-yl)carbamateCarbamic acid, (5-amino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazin-7-yl)-, ethyl ester (9CI)
Carbamic acid,5-amino-1,2-dihydro-2-methyo-3- phenylpyrido[3,4-b]pyrazin-7-yl,ethyl ester,2- (hydroxyethyl)sulfonate, ethanolate [1:1:1]Ethyl hydrogen (5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbonimidate
Database identifiers
- CAS
122293-95-2、83269-10-7- PubChem CID
- 134196
- DTXSID
DTXSID70924128- ChEMBL
CHEMBL65189- Nikkaji
- J448.627G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Melting point
- 233 · 233-240 °C (decomp)
- Boiling point
- 483 · 483.0±45.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 11.62 · 11.62±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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