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Ethyl 5-methoxy-9-methyl-1,4,8-triazabicyclo[4.3.0]nona-2,6,8-triene-4-carboxylate

HCID 300545
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
56468-14-5
Standard SMILES
CCOC(=O)N1C=Cn2c(cnc2C)C1OC
InChIKey
LJFFADLXQHTCHK-UHFFFAOYSA-N
Molecular formula
C11H15N3O3
Average molar mass
237.25 g/mol
Monoisotopic mass
237.11134135

Names & identifiers

Preferred name
Ethyl 5-methoxy-9-methyl-1,4,8-triazabicyclo[4.3.0]nona-2,6,8-triene-4-carboxylate
IUPAC
ethyl 8-methoxy-3-methyl-8H-imidazo[1,5-a]pyrazine-7-carboxylate

Names & synonyms

56468-14-5Ethyl 8-methoxy-3-methylimidazo[1,5-a]pyrazine-7(8H)-carboxylateNSC175392ETHYL 5-METHOXY-9-METHYL-1,4,8-TRIAZABICYCLO[4.3.0]NONA-2,6,8-TRIENE-4-CARBOXYLATEDTXSID20306314NSC-175392

Database identifiers

CAS
56468-14-5
PubChem CID
300545
DTXSID
DTXSID20306314

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
56.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
321

Related reactions

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Compound notes

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