Basic information
- CAS
87871-34-9- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(C(N)=O)cc1- InChIKey
MCGQISHBXJFQSB-UHFFFAOYSA-N- Molecular formula
- C12H16N6O
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.13855916
Names & identifiers
- Preferred name
- 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzamide
- IUPAC
- 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzamide
Names & synonyms
87871-34-94-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzamide4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzamideCHEMBL284553DTXSID30330903BDBM504050531-(4-Aminocarbonylphenyl)-1,6-dihydro-6,6- dimethyl-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
87871-34-9- PubChem CID
- 433472
- DTXSID
DTXSID30330903- ChEMBL
CHEMBL284553
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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