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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9N3O2
Molecular Weight 227.2188
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(1,2,4-Triazol-4-ylmethyl)chromen-4-one

SMILES

O=C1C=COC2=C1C=CC(CN3C=NN=C3)=C2

InChI

InChIKey=QNCWBRMMGXVBEU-UHFFFAOYSA-N
InChI=1S/C12H9N3O2/c16-11-3-4-17-12-5-9(1-2-10(11)12)6-15-7-13-14-8-15/h1-5,7-8H,6H2

HIDE SMILES / InChI

Molecular Formula C12H9N3O2
Molecular Weight 227.2188
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 15:40:39 GMT 2023
Edited
by admin
on Sat Dec 16 15:40:39 GMT 2023
Record UNII
C26E93G3F8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(1,2,4-Triazol-4-ylmethyl)chromen-4-one
Systematic Name English
7-(4H-1,2,4-Triazol-4-ylmethyl)-4H-1-benzopyran-4-one
Systematic Name English
4H-1-Benzopyran-4-one, 7-(4H-1,2,4-triazol-4-ylmethyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
C26E93G3F8
Created by admin on Sat Dec 16 15:40:39 GMT 2023 , Edited by admin on Sat Dec 16 15:40:39 GMT 2023
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CAS
331684-17-4
Created by admin on Sat Dec 16 15:40:39 GMT 2023 , Edited by admin on Sat Dec 16 15:40:39 GMT 2023
PRIMARY
PUBCHEM
10823163
Created by admin on Sat Dec 16 15:40:39 GMT 2023 , Edited by admin on Sat Dec 16 15:40:39 GMT 2023
PRIMARY