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1-(5-methyl-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)-2-phenylethanamine

HCID 90281519
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccccc1-n1c(C)nnc1C(N)Cc1ccccc1
InChIKey
YIWILAANHYEHJM-UHFFFAOYSA-N
Molecular formula
C18H20N4
Average molar mass
292.4 g/mol

Names & identifiers

Preferred name
1-(5-methyl-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)-2-phenylethanamine
IUPAC
1-[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]-2-phenylethanamine

Names & synonyms

SCHEMBL15875520YIWILAANHYEHJM-UHFFFAOYSA-N1-(5-methyl-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)-2-phenylethanamine

Database identifiers

PubChem CID
90281519

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
56.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Formal charge
0
Complexity
342

Related reactions

3 records
New reaction record
HRID 1506632 reaction equation
HRID 1506632As productuspto-grants-2015_12
HRID 1506633 reaction equation
HRID 1506633As reactantuspto-grants-2015_12
HRID 1506634 reaction equation
HRID 1506634As reactantuspto-grants-2015_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes