Basic information
- CAS
113458-67-6- Standard SMILES
CN1C(=O)N(C)C2=NNC(=O)NC2(c2ccc(N)c(N)c2)C1=O- InChIKey
SNHBMGKKZPZLHZ-UHFFFAOYSA-N- Molecular formula
- C13H15N7O3
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.12363737
Names & identifiers
- Preferred name
- Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(3,4-diaminophenyl)-6,8-dimethyl-
- IUPAC
- 4a-(3,4-diaminophenyl)-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
Names & synonyms
BRN 5628737113458-67-6Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(3,4-diaminophenyl)-6,8-dimethyl-RefChem:377792DTXSID709210714a-(3,4-Diaminophenyl)-3-hydroxy-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione
Database identifiers
- CAS
113458-67-6- PubChem CID
- 3087151
- DTXSID
DTXSID70921071
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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