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Details

Stereochemistry ACHIRAL
Molecular Formula C8H13N3O
Molecular Weight 167.2083
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3-DIMETHYL-1-(1,2,4-TRIAZOL-1-YL)BUTAN-2-ONE

SMILES

CC(C)(C)C(=O)CN1C=NC=N1

InChI

InChIKey=FMWWRALTYIWZEB-UHFFFAOYSA-N
InChI=1S/C8H13N3O/c1-8(2,3)7(12)4-11-6-9-5-10-11/h5-6H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H13N3O
Molecular Weight 167.2083
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 12:34:12 GMT 2023
Edited
by admin
on Sat Dec 16 12:34:12 GMT 2023
Record UNII
824RRR96HJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3-DIMETHYL-1-(1,2,4-TRIAZOL-1-YL)BUTAN-2-ONE
Systematic Name English
2-BUTANONE, 3,3-DIMETHYL-1-(1H-1,2,4-TRIAZOL-1-YL)-
Systematic Name English
1-(1,2,4-TRIAZOL-1-YL)-3,3-DIMETHYL-2-BUTANONE
Systematic Name English
3,3-DIMETHYL-1-(1H-1,2,4-TRIAZOL-1-YL)-2-BUTANONE
Systematic Name English
3,3-DIMETHYL-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-ONE
Systematic Name English
Code System Code Type Description
CAS
58905-32-1
Created by admin on Sat Dec 16 12:34:12 GMT 2023 , Edited by admin on Sat Dec 16 12:34:12 GMT 2023
PRIMARY
ECHA (EC/EINECS)
261-489-6
Created by admin on Sat Dec 16 12:34:12 GMT 2023 , Edited by admin on Sat Dec 16 12:34:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID80207651
Created by admin on Sat Dec 16 12:34:12 GMT 2023 , Edited by admin on Sat Dec 16 12:34:12 GMT 2023
PRIMARY
PUBCHEM
100877
Created by admin on Sat Dec 16 12:34:12 GMT 2023 , Edited by admin on Sat Dec 16 12:34:12 GMT 2023
PRIMARY
FDA UNII
824RRR96HJ
Created by admin on Sat Dec 16 12:34:12 GMT 2023 , Edited by admin on Sat Dec 16 12:34:12 GMT 2023
PRIMARY