3-(5-Isopropyl-[1,2,4]triazol-1-yl)-5-(5-methyl-pyridin-2-yl)-benzoic acid methyl ester

HCID 57770739
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Basic information

Standard SMILES
COC(=O)c1cc(-c2ccc(C)cn2)cc(-n2ncnc2C(C)C)c1
InChIKey
OPWUSUUWYOFJKM-UHFFFAOYSA-N
Molecular formula
C19H20N4O2
Average molar mass
336.4 g/mol
Monoisotopic mass
336.15862589

Names & identifiers

Preferred name
3-(5-Isopropyl-[1,2,4]triazol-1-yl)-5-(5-methyl-pyridin-2-yl)-benzoic acid methyl ester
IUPAC
methyl 3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate

Names & synonyms

SCHEMBL2274809OPWUSUUWYOFJKM-UHFFFAOYSA-N3-(5-isopropyl-[1,2,4]triazol-1-yl)-5-(5-methyl-pyridin-2-yl)-benzoic acid methyl ester

Database identifiers

PubChem CID
57770739

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
69.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
25

Related reactions

5 records
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Compound notes

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