2-Ethyl-9-methyl-5-nitro-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Basic information
- CAS
163046-77-3- Standard SMILES
CCN1c2ncccc2C(=O)N(C)c2ccc([N+](=O)[O-])nc21- InChIKey
UIDDPZGLQKVYLE-UHFFFAOYSA-N- Molecular formula
- C14H13N5O3
- Average molar mass
- 299.28 g/mol
- Monoisotopic mass
- 299.10183929
Names & identifiers
- Preferred name
- 2-Ethyl-9-methyl-5-nitro-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
- IUPAC
- 2-ethyl-9-methyl-5-nitro-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Names & synonyms
DTXSID701129113163046-77-311-Ethyl-5-methyl-2-nitro-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one11-Ethyl-5,11-dihydro-5-methyl-2-nitro-6H-dipyrido[3,2-b:2a(2),3a(2)-e][1,4]diazepin-6-one
Database identifiers
- CAS
163046-77-3- PubChem CID
- 15761007
- DTXSID
DTXSID701129113
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 454
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Compound notes
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