Basic information
- CAS
28330-81-6- Standard SMILES
C=C(C)c1nc(N)nc(N(C)C)n1- InChIKey
CRINEYLZIXRUNJ-UHFFFAOYSA-N- Molecular formula
- C8H13N5
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.11709544
Names & identifiers
- Preferred name
- N~2~,N~2~-Dimethyl-6-(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 2-N,2-N-dimethyl-6-prop-1-en-2-yl-1,3,5-triazine-2,4-diamine
Names & synonyms
28330-81-6NSC363627SCHEMBL13482887DTXSID40320698N~2~,N~2~-Dimethyl-6-(prop-1-en-2-yl)-1,3,5-triazine-2,4-diamineNSC-363627
Database identifiers
- CAS
28330-81-6- PubChem CID
- 338908
- DTXSID
DTXSID40320698- Nikkaji
- J1.310.240F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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