Basic information
- CAS
1639-39-0- Standard SMILES
Cc1ccc(Oc2nc(N)nc(N)n2)cc1- InChIKey
FOCAKIFUYAMBFL-UHFFFAOYSA-N- Molecular formula
- C10H11N5O
- Average molar mass
- 217.23 g/mol
- Monoisotopic mass
- 217.09635999
Names & identifiers
- Preferred name
- 6-(4-Methylphenoxy)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-(4-methylphenoxy)-1,3,5-triazine-2,4-diamine
Names & synonyms
6-(4-methylphenoxy)-1,3,5-triazine-2,4-diamine1639-39-0DTXSID30274550
Database identifiers
- CAS
1639-39-0- PubChem CID
- 15423
- DTXSID
DTXSID30274550- Nikkaji
- J1.552.644K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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