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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H6N4O
Molecular Weight 150.138
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [5-METHYL-(1,2,4)TRIAZOLO(1,5-A)PYRIMIDIN-7(1H)-ONE]

SMILES

CC1=NC2=NC=NN2C(O)=C1

InChI

InChIKey=ZUIVNYGZFPOXFW-UHFFFAOYSA-N
InChI=1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h2-3,11H,1H3

HIDE SMILES / InChI

Molecular Formula C6H6N4O
Molecular Weight 150.138
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 Wed Apr 02 03:01:38 GMT 2025
Edited
by admin
on Wed Apr 02 03:01:38 GMT 2025
Record UNII
J13JT2L1BY
Record Status alternative
Record Version
  • Download
Related Record Type Details
Primary Definition