Basic information
- CAS
27963-33-3- Standard SMILES
CC(C)COc1nc(N)nc(N)n1- InChIKey
MAWPKLDFFYFVNF-UHFFFAOYSA-N- Molecular formula
- C7H13N5O
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.11201006
Names & identifiers
- Preferred name
- s-Triazine, 4,6-diamino-2-isobutoxy-
- IUPAC
- 6-(2-methylpropoxy)-1,3,5-triazine-2,4-diamine
- English name
- 6-Isobutoxy-s-triazine-2,4-diamine
- Molecular formula
- C7H13N5O
- Molecular weight
- 183.21
Names & synonyms
s-Triazine, 4,6-diamino-2-isobutoxy-27963-33-3DTXSID30182242RefChem:1098281DTXCID40104733BRN 01632784,6-Diamino-2-isobutoxy-s-triazine1,3,5-Triazine-2,4-diamine, 6-isobutoxy-6-(2-methylpropoxy)-1,3,5-triazine-2,4-diamine6-Isobutoxy-s-triazine-2,4-diamine6-Isobutoxy-1,3,5-triazine-2,4-diamine1,3,5-Triazine-2,4-diamine, 6-(2-methylpropoxy)-
Database identifiers
- CAS
27963-33-3- PubChem CID
- 34083
- DTXSID
DTXSID30182242- Nikkaji
- J48.129G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 144
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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