1-[2-(2,4-dichlorophenyl)-2-(2-propynyloxy)ethyl]-1H-1,2,4-triazole

HCID 13655429
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Basic information

Standard SMILES
C#CCOC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIKey
JYEDDFRLRAOIRJ-UHFFFAOYSA-N
Molecular formula
C13H11Cl2N3O
Average molar mass
296.15 g/mol
Monoisotopic mass
295.0279174

Names & identifiers

Preferred name
1-[2-(2,4-dichlorophenyl)-2-(2-propynyloxy)ethyl]-1H-1,2,4-triazole
IUPAC
1-[2-(2,4-dichlorophenyl)-2-prop-2-ynoxyethyl]-1,2,4-triazole

Names & synonyms

SCHEMBL10833590JYEDDFRLRAOIRJ-UHFFFAOYSA-N1-[2-(2,4-dichlorophenyl)-2-(2 -propynyloxy)ethyl]-1H-1,2,4-triazole

Database identifiers

PubChem CID
13655429

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
39.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
19

Related reactions

1 records
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Compound notes

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