Basic information
- Standard SMILES
Cc1nc2c3c(nn2c(C)c1F)CN(C(=O)OC(C)(C)C)C3- InChIKey
PKIUOMDQMFCCSZ-UHFFFAOYSA-N- Molecular formula
- C15H19FN4O2
- Average molar mass
- 306.34 g/mol
Names & identifiers
- Preferred name
- 6-fluoro-5,7-dimethyl-1H,3H-2,4,7a,8-tetraaza-cyclopenta[a]indene-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 10-fluoro-9,11-dimethyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene-4-carboxylate
Names & synonyms
SCHEMBL15058481PKIUOMDQMFCCSZ-UHFFFAOYSA-N6-fluoro-5,7-dimethyl-1H,3H-2,4,7a,8-tetraaza-cyclopenta[a]indene-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 89650336
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
Related reactions
2 records
Compound notes
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