4-[3-(4-Amino-6-prop-1-en-2-yl-1,3,5-triazin-2-yl)phenyl]-6-prop-1-en-2-yl-1,3,5-triazin-2-amine
Basic information
- CAS
81854-88-8- Standard SMILES
C=C(C)c1nc(N)nc(-c2cccc(-c3nc(N)nc(C(=C)C)n3)c2)n1- InChIKey
ZSDCWXZDTYXEAE-UHFFFAOYSA-N- Molecular formula
- C18H18N8
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.16544261
Names & identifiers
- Preferred name
- 4-[3-(4-Amino-6-prop-1-en-2-yl-1,3,5-triazin-2-yl)phenyl]-6-prop-1-en-2-yl-1,3,5-triazin-2-amine
- IUPAC
- 4-[3-(4-amino-6-prop-1-en-2-yl-1,3,5-triazin-2-yl)phenyl]-6-prop-1-en-2-yl-1,3,5-triazin-2-amine
Names & synonyms
NSC36362481854-88-8SCHEMBL118263DTXSID20320696NSC-3636244,4'-(1,3-Phenylene)bis[6-(prop-1-en-2-yl)-1,3,5-triazin-2-amine]4-(3-(4-amino-6-isopropenyl-1,3,5-triazin-2-yl)phenyl)-6-isopropenyl-1,3,5-triazin-2-ylamine
Database identifiers
- CAS
81854-88-8- PubChem CID
- 338905
- DTXSID
DTXSID20320696
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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