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Details

Stereochemistry ACHIRAL
Molecular Formula C19H21N5O2
Molecular Weight 351.4023
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-dihydro-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-1,2,4-triazol-3-one

SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)N4C=NNC4=O

InChI

InChIKey=SEHQVBVJJRRRSG-UHFFFAOYSA-N
InChI=1S/C19H21N5O2/c1-26-18-8-6-16(7-9-18)23-12-10-22(11-13-23)15-2-4-17(5-3-15)24-14-20-21-19(24)25/h2-9,14H,10-13H2,1H3,(H,21,25)

HIDE SMILES / InChI

Molecular Formula C19H21N5O2
Molecular Weight 351.4023
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:35:14 GMT 2025
Edited
by admin
on Tue Apr 01 19:35:14 GMT 2025
Record UNII
69BLQ3QLT8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-dihydro-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-1,2,4-triazol-3-one
Systematic Name English
PRR-844
Preferred Name English
3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-
Systematic Name English
2,4-Dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
Systematic Name English
Code System Code Type Description
PUBCHEM
4246597
Created by admin on Tue Apr 01 19:35:14 GMT 2025 , Edited by admin on Tue Apr 01 19:35:14 GMT 2025
PRIMARY
ECHA (EC/EINECS)
278-009-6
Created by admin on Tue Apr 01 19:35:14 GMT 2025 , Edited by admin on Tue Apr 01 19:35:14 GMT 2025
PRIMARY
CAS
74853-07-9
Created by admin on Tue Apr 01 19:35:14 GMT 2025 , Edited by admin on Tue Apr 01 19:35:14 GMT 2025
PRIMARY
FDA UNII
69BLQ3QLT8
Created by admin on Tue Apr 01 19:35:14 GMT 2025 , Edited by admin on Tue Apr 01 19:35:14 GMT 2025
PRIMARY
EPA CompTox
DTXSID60225818
Created by admin on Tue Apr 01 19:35:14 GMT 2025 , Edited by admin on Tue Apr 01 19:35:14 GMT 2025
PRIMARY