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Details

Stereochemistry ACHIRAL
Molecular Formula C12H8ClN3
Molecular Weight 229.665
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[2-(3-Chlorophenyl)ethynyl]-5-methyl-1,2,4-triazine

SMILES

CC1=CN=NC(=N1)C#CC2=CC=CC(Cl)=C2

InChI

InChIKey=KPQLYWIRBOHKMO-UHFFFAOYSA-N
InChI=1S/C12H8ClN3/c1-9-8-14-16-12(15-9)6-5-10-3-2-4-11(13)7-10/h2-4,7-8H,1H3

HIDE SMILES / InChI

Molecular Formula C12H8ClN3
Molecular Weight 229.665
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 15:19:03 GMT 2023
Edited
by admin
on Sat Dec 16 15:19:03 GMT 2023
Record UNII
V4GK6N52XW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[2-(3-Chlorophenyl)ethynyl]-5-methyl-1,2,4-triazine
Systematic Name English
1,2,4-Triazine, 3-[2-(3-chlorophenyl)ethynyl]-5-methyl-
Systematic Name English
Code System Code Type Description
FDA UNII
V4GK6N52XW
Created by admin on Sat Dec 16 15:19:03 GMT 2023 , Edited by admin on Sat Dec 16 15:19:03 GMT 2023
PRIMARY
CAS
945915-51-5
Created by admin on Sat Dec 16 15:19:03 GMT 2023 , Edited by admin on Sat Dec 16 15:19:03 GMT 2023
PRIMARY
PUBCHEM
16736031
Created by admin on Sat Dec 16 15:19:03 GMT 2023 , Edited by admin on Sat Dec 16 15:19:03 GMT 2023
PRIMARY