-
1-(2-methylphenyl)-4-(2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)piperazine hydrochloride
-
ChemBase ID:
165400
-
Molecular Formular:
C19H28ClN5
-
Molecular Mass:
361.91212
-
Monoisotopic Mass:
361.2033236
-
SMILES and InChIs
SMILES:
C1CCn2c(C1)nnc2CCN1CCN(CC1)c1ccccc1C.Cl
Canonical SMILES:
Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2.Cl
InChI:
InChI=1S/C19H27N5.ClH/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19;/h2-3,6-7H,4-5,8-15H2,1H3;1H
InChIKey:
ZIODNPFQZIHCOE-UHFFFAOYSA-N
-
Cite this record
CBID:165400 http://www.chembase.cn/molecule-165400.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-(2-methylphenyl)-4-(2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)piperazine hydrochloride
|
|
|
IUPAC Traditional name
|
dapiprazole hydrochloride
|
|
|
Synonyms
|
5,6,7,8-Tetrahydro-3-[2-[4-(2-methylphenyl)-1-piperazinyl]ethyl]-1,2,4-Triazolo[4,3-a]pyridine Hydrochloride
|
AF 2139
|
Glamidolo
|
Rev-Eyes
|
Reversil
|
Dapiprazole Hydrochloride
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
|
Data ID
|
Price
|
TRC
|
|
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
4
|
H Donor
|
0
|
LogD (pH = 5.5)
|
0.26387095
|
LogD (pH = 7.4)
|
1.9607973
|
Log P
|
2.4158738
|
Molar Refractivity
|
100.2216 cm3
|
Polarizability
|
37.01138 Å3
|
Polar Surface Area
|
37.19 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent