2-Cyclopenten-1-one, 2,5-dichloro-4,4-dimethoxy-5-(2-propenyl)-3-((1H-1,2,4-triazol-3-ylmethyl)amino)-
Basic information
- CAS
144970-11-6- Standard SMILES
C=CCC1(Cl)C(=O)C(Cl)=C(NCc2ncn[nH]2)C1(OC)OC- InChIKey
SYZFTSINTYJWBG-UHFFFAOYSA-N- Molecular formula
- C13H16Cl2N4O3
- Average molar mass
- 347.19 g/mol
- Monoisotopic mass
- 346.0599458
Names & identifiers
- Preferred name
- 2-Cyclopenten-1-one, 2,5-dichloro-4,4-dimethoxy-5-(2-propenyl)-3-((1H-1,2,4-triazol-3-ylmethyl)amino)-
- IUPAC
- 2,5-dichloro-4,4-dimethoxy-5-prop-2-enyl-3-(1H-1,2,4-triazol-5-ylmethylamino)cyclopent-2-en-1-one
Names & synonyms
BRN 5829664144970-11-62-Cyclopenten-1-one, 2,5-dichloro-4,4-dimethoxy-5-(2-propenyl)-3-((1H-1,2,4-triazol-3-ylmethyl)amino)-RefChem:259924DTXSID509324632,5-Dichloro-4,4-dimethoxy-5-(prop-2-en-1-yl)-3-{[(1H-1,2,4-triazol-3-yl)methyl]amino}cyclopent-2-en-1-one
Database identifiers
- CAS
144970-11-6- PubChem CID
- 3072844
- DTXSID
DTXSID50932463- Nikkaji
- J519.758I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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