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Details

Stereochemistry ACHIRAL
Molecular Formula C13H8N8
Molecular Weight 276.2562
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(5-METHYLTETRAAZOLO(1,5-A)(1,2,4)TRIAZOLO(4,3-C)PYRIMIDIN-9-YL)BENZONITRILE

SMILES

CC1=CC2=NN=C(N2C3=NN=NN13)C4=CC=C(C=C4)C#N

InChI

InChIKey=JOTNRTDGGLSAMF-UHFFFAOYSA-N
InChI=1S/C13H8N8/c1-8-6-11-15-16-12(10-4-2-9(7-14)3-5-10)20(11)13-17-18-19-21(8)13/h2-6H,1H3

HIDE SMILES / InChI

Molecular Formula C13H8N8
Molecular Weight 276.2562
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 12:57:36 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:36 GMT 2023
Record UNII
R5474B3XL7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(5-METHYLTETRAAZOLO(1,5-A)(1,2,4)TRIAZOLO(4,3-C)PYRIMIDIN-9-YL)BENZONITRILE
Systematic Name English
NSC-349638
Code English
4-(5-METHYLTETRAZOLO(1,5-A)(1,2,4)TRIAZOLO(4,3-C)PYRIMIDIN-9-YL)BENZONITRILE
Systematic Name English
BENZONITRILE, 4-(5-METHYLTETRAZOLO(1,5-A)(1,2,4)TRIAZOLO(4,3-C)PYRIMIDIN-9-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
336211
Created by admin on Sat Dec 16 12:57:36 GMT 2023 , Edited by admin on Sat Dec 16 12:57:36 GMT 2023
PRIMARY
FDA UNII
R5474B3XL7
Created by admin on Sat Dec 16 12:57:36 GMT 2023 , Edited by admin on Sat Dec 16 12:57:36 GMT 2023
PRIMARY
NSC
349638
Created by admin on Sat Dec 16 12:57:36 GMT 2023 , Edited by admin on Sat Dec 16 12:57:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID30217780
Created by admin on Sat Dec 16 12:57:36 GMT 2023 , Edited by admin on Sat Dec 16 12:57:36 GMT 2023
PRIMARY
CAS
67433-63-0
Created by admin on Sat Dec 16 12:57:36 GMT 2023 , Edited by admin on Sat Dec 16 12:57:36 GMT 2023
PRIMARY