Basic information
- CAS
61404-51-1- Standard SMILES
COc1cc(Cc2nnc(N)nc2N)cc(OC)c1OC- InChIKey
POJMIEAKIOGMNZ-UHFFFAOYSA-N- Molecular formula
- C13H17N5O3
- Average molar mass
- 291.31 g/mol
- Monoisotopic mass
- 291.13313942
Names & identifiers
- Preferred name
- 6-((3,4,5-Trimethoxyphenyl)methyl)-1,2,4-triazine-3,5-diamine
- IUPAC
- 6-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
Names & synonyms
61404-51-19M1KRY8OEFUNII-9M1KRY8OEF1,2,4-Triazine-3,5-diamine, 6-((3,4,5-trimethoxyphenyl)methyl)-NSC 286720NSC-2867206-((3,4,5-Trimethoxyphenyl)methyl)-1,2,4-triazine-3,5-diamine6-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-triazine-3,5-diamineDTXSID202103411,2,4-Triazine-3,5-diamine, 6-[(3,4,5-trimethoxyphenyl)methyl]-RefChem:199038DTXCID20132832
Show more names
NSC286720
Database identifiers
- CAS
61404-51-1- PubChem CID
- 323862
- DTXSID
DTXSID20210341- UNII
- 9M1KRY8OEF
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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