NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
3-phenyl-1H-1,2,4-triazole
|
3-phenyl-4H-1,2,4-triazole
|
|
|
IUPAC Traditional name
|
1H-1,2,4-triazole, 3-phenyl-
|
3-phenyl-4H-1,2,4-triazole
|
|
|
Synonyms
|
3-Phenyl-1H-1,2,4-triazole
|
3-phenyl-4H-1,2,4-triazole
|
|
|
CAS Number
|
|
MDL Number
|
MFCD00159717
|
MFCD00228868
|
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
11.886866
|
H Acceptors
|
2
|
H Donor
|
1
|
LogD (pH = 5.5)
|
0.9186494
|
LogD (pH = 7.4)
|
0.9180345
|
Log P
|
0.9190944
|
Molar Refractivity
|
54.3306 cm3
|
Polarizability
|
16.539108 Å3
|
Polar Surface Area
|
41.57 Å2
|
Rotatable Bonds
|
1
|
Lipinski's Rule of Five
|
true
|
PATENTS
PATENTS
PubChem Patent
Google Patent