Basic information
- CAS
30948-97-1- Standard SMILES
CCCCCCn1ncc(=O)[nH]c1=O- InChIKey
JUXNVILULLKPHY-UHFFFAOYSA-N- Molecular formula
- C9H15N3O2
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.11642673
Names & identifiers
- Preferred name
- 2-Hexyl-1,2,4-triazine-3,5-dione
- IUPAC
- 2-hexyl-1,2,4-triazine-3,5-dione
Names & synonyms
NSC22904730948-97-1DTXSID00310590NSC-2290472-Hexyl-1,2,4-triazine-3,5(2H,4H)-dione
Database identifiers
- CAS
30948-97-1- PubChem CID
- 313658
- DTXSID
DTXSID00310590
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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