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

HCID 57770768
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(-c2cc(C(=O)O)cc(-n3ncnc3C(C)C)c2)nc1
InChIKey
PFAKFHGWFHJEAA-UHFFFAOYSA-N
Molecular formula
C18H18N4O2
Average molar mass
322.4 g/mol
Monoisotopic mass
322.14297583

Names & identifiers

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

Names & synonyms

SCHEMBL2269597PFAKFHGWFHJEAA-UHFFFAOYSA-N3-(5-isopropyl-[1,2,4]triazol-1-yl)-5-(5-methyl-pyridin-2-yl)-benzoic acid

Database identifiers

PubChem CID
57770768

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
80.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
24

Related reactions

6 records
New reaction record

Compound notes

Loading…