U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H14N6
Molecular Weight 242.2798
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4,6-DIAMINO-2,2-DIMETHYL-1,3,5-TRIAZIN-1(2H)-YL)BENZONITRILE

SMILES

CC1(C)N=C(N)N=C(N)N1C2=CC=CC(=C2)C#N

InChI

InChIKey=NCLZDLNUFXETQQ-UHFFFAOYSA-N
InChI=1S/C12H14N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-4-8(6-9)7-13/h3-6H,1-2H3,(H4,14,15,16,17)

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-115928
Preferred Name English
3-(4,6-DIAMINO-2,2-DIMETHYL-1,3,5-TRIAZIN-1(2H)-YL)BENZONITRILE
Systematic Name English
BENZONITRILE, 3-(4,6-DIAMINO-2,2-DIMETHYL-1,3,5-TRIAZIN-1(2H)-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
TQ8Q53FMH7
Created by admin on Tue Apr 01 16:48:46 GMT 2025 , Edited by admin on Tue Apr 01 16:48:46 GMT 2025
PRIMARY
PUBCHEM
271921
Created by admin on Tue Apr 01 16:48:46 GMT 2025 , Edited by admin on Tue Apr 01 16:48:46 GMT 2025
PRIMARY
NSC
115928
Created by admin on Tue Apr 01 16:48:46 GMT 2025 , Edited by admin on Tue Apr 01 16:48:46 GMT 2025
PRIMARY
CAS
70743-55-4
Created by admin on Tue Apr 01 16:48:46 GMT 2025 , Edited by admin on Tue Apr 01 16:48:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID00221011
Created by admin on Tue Apr 01 16:48:46 GMT 2025 , Edited by admin on Tue Apr 01 16:48:46 GMT 2025
PRIMARY