Diethyl 4-acetyl-8-cyano-5-methyl-1,6,10-triazatricyclo[5.3.0.02,4]deca-5,7,9-triene-2,3-dicarboxylate
Basic information
- CAS
77937-06-5- Standard SMILES
CCOC(=O)C1C2(C(C)=O)C(C)=Nc3c(C#N)cnn3C12C(=O)OCC- InChIKey
DVLYAPQMUIHJPA-UHFFFAOYSA-N- Molecular formula
- C17H18N4O5
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 358.12771969
Names & identifiers
- Preferred name
- Diethyl 4-acetyl-8-cyano-5-methyl-1,6,10-triazatricyclo[5.3.0.02,4]deca-5,7,9-triene-2,3-dicarboxylate
- IUPAC
- diethyl 4-acetyl-8-cyano-5-methyl-1,6,10-triazatricyclo[5.3.0.02,4]deca-5,7,9-triene-2,3-dicarboxylate
Names & synonyms
NSC34873777937-06-5NSC 348737DTXSID70331015NSC-348737Diethyl 5a-acetyl-3-cyano-5-methyl-5a,6-dihydro-6aH-cyclopropa[e]pyrazolo[1,5-a]pyrimidine-6,6a-dicarboxylate
Database identifiers
- CAS
77937-06-5- PubChem CID
- 434342
- DTXSID
DTXSID70331015
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 755
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Compound notes
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