Basic information
- CAS
72499-69-5- Standard SMILES
c1ccc2c(c1)oc1cc3c(cc12)nnc1cccn13- InChIKey
VDGWOCSQIGJOMJ-UHFFFAOYSA-N- Molecular formula
- C16H9N3O
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.07456192
Names & identifiers
- Preferred name
- Benzofuro(2,3-g)pyrrolo(2,1-C)(1,2,4)benzotriazine
- IUPAC
- 20-oxa-4,9,10-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1,3(11),5,7,9,12,14,16,18-nonaene
Names & synonyms
RP0MU05Q5W72499-69-5UNII-RP0MU05Q5W(1)Benzofuro(2,3-g)pyrrolo(2,1-c)(1,2,4)benzotriazineNSC 346213NSC-346213Benzofuro(2,3-g)pyrrolo(2,1-C)(1,2,4)benzotriazineDTXSID20222803[1]Benzofuro[2,3-g]pyrrolo[2,1-c][1,2,4]benzotriazineRefChem:199766DTXCID10145294NSC346213
Database identifiers
- CAS
72499-69-5- PubChem CID
- 335657
- DTXSID
DTXSID20222803- UNII
- RP0MU05Q5W
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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