Basic information
- CAS
17711-74-9- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1cccc([N+](=O)[O-])c1- InChIKey
JZXAZFVGAXLTTI-UHFFFAOYSA-N- Molecular formula
- C11H14N6O2
- Average molar mass
- 262.27 g/mol
- Monoisotopic mass
- 262.11782371
Names & identifiers
- Preferred name
- 6,6-Dimethyl-1-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6,6-dimethyl-1-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
- English name
- 1-(3-Nitrophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
- Molecular weight
- 0
Names & synonyms
6,6-dimethyl-1-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine17711-74-9CHEMBL208611-(3-Nitrophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamineDTXSID40275311BDBM50291774NSC2109716,6-dimethyl-1-(3-nitrophenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamineNSC-2109711,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3-nitrophenyl)-6,6-Dimethyl-1-(3-nitro-phenyl)-1,6-dihydro-[1,3,5]triazine-2,4-diamine2,4-Diamino-6,6-dimethyl-5,6-dihydro-5-(3-nitrophenyl)-1,3,5-triazine
Database identifiers
- CAS
17711-74-9- PubChem CID
- 35513
- DTXSID
DTXSID40275311- ChEMBL
CHEMBL20861- Nikkaji
- J424.930E
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 439
Experimental & physicochemical properties
LogP0.06
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…