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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8N6O
Molecular Weight 192.178
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-Bis(1,2,4-triazol-1-yl)propan-2-one

SMILES

O=C(CN1C=NC=N1)CN2C=NC=N2

InChI

InChIKey=KQQIIJSWEPRYPF-UHFFFAOYSA-N
InChI=1S/C7H8N6O/c14-7(1-12-5-8-3-10-12)2-13-6-9-4-11-13/h3-6H,1-2H2

HIDE SMILES / InChI

Molecular Formula C7H8N6O
Molecular Weight 192.178
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 Sat Dec 16 11:14:21 GMT 2023
Edited
by admin
on Sat Dec 16 11:14:21 GMT 2023
Record UNII
4525VQP7TQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Bis(1,2,4-triazol-1-yl)propan-2-one
Systematic Name English
2-Propanone, 1,3-bis(1H-1,2,4-triazol-1-yl)-
Systematic Name English
1,3-Bis(1H-1,2,4-triazol-1-yl)-2-propanone
Systematic Name English
Code System Code Type Description
CAS
98414-56-3
Created by admin on Sat Dec 16 11:14:21 GMT 2023 , Edited by admin on Sat Dec 16 11:14:21 GMT 2023
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PUBCHEM
21982139
Created by admin on Sat Dec 16 11:14:21 GMT 2023 , Edited by admin on Sat Dec 16 11:14:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID501266711
Created by admin on Sat Dec 16 11:14:21 GMT 2023 , Edited by admin on Sat Dec 16 11:14:21 GMT 2023
PRIMARY
FDA UNII
4525VQP7TQ
Created by admin on Sat Dec 16 11:14:21 GMT 2023 , Edited by admin on Sat Dec 16 11:14:21 GMT 2023
PRIMARY