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Details

Stereochemistry ACHIRAL
Molecular Formula C12H8N8O2
Molecular Weight 296.2443
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Methyl-9-(3-nitrophenyl)tetrazolo[1,5-a][1,2,4]triazolo[4,3-c]pyrimidine

SMILES

CC1=CC2=NN=C(N2C3=NN=NN13)C4=CC(=CC=C4)[N+]([O-])=O

InChI

InChIKey=IXBMTZUULGDHGE-UHFFFAOYSA-N
InChI=1S/C12H8N8O2/c1-7-5-10-13-14-11(18(10)12-15-16-17-19(7)12)8-3-2-4-9(6-8)20(21)22/h2-6H,1H3

HIDE SMILES / InChI

Molecular Formula C12H8N8O2
Molecular Weight 296.2443
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 12:48:40 GMT 2023
Edited
by admin
on Sat Dec 16 12:48:40 GMT 2023
Record UNII
GJ88WZ2ZGR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Methyl-9-(3-nitrophenyl)tetrazolo[1,5-a][1,2,4]triazolo[4,3-c]pyrimidine
Systematic Name English
Tetrazolo[1,5-a][1,2,4]triazolo[4,3-c]pyrimidine, 5-methyl-9-(3-nitrophenyl)-
Systematic Name English
9-(3-(Hydroxy(oxido)amino)phenyl)-5-methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidine
Systematic Name English
NSC-349637
Code English
7-Methyl-12-(3-nitrophenyl)-1,3,4,5,6,10,11-heptazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
Systematic Name English
Code System Code Type Description
CAS
67433-57-2
Created by admin on Sat Dec 16 12:48:40 GMT 2023 , Edited by admin on Sat Dec 16 12:48:40 GMT 2023
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PUBCHEM
336210
Created by admin on Sat Dec 16 12:48:40 GMT 2023 , Edited by admin on Sat Dec 16 12:48:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID60217778
Created by admin on Sat Dec 16 12:48:40 GMT 2023 , Edited by admin on Sat Dec 16 12:48:40 GMT 2023
PRIMARY
NSC
349637
Created by admin on Sat Dec 16 12:48:40 GMT 2023 , Edited by admin on Sat Dec 16 12:48:40 GMT 2023
PRIMARY
FDA UNII
GJ88WZ2ZGR
Created by admin on Sat Dec 16 12:48:40 GMT 2023 , Edited by admin on Sat Dec 16 12:48:40 GMT 2023
PRIMARY