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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H5N3O
Molecular Weight 111.102
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYL-2-NITROSOIMIDAZOLE

SMILES

CN1C=CN=C1N=O

InChI

InChIKey=DQGMASZUGMDEFA-UHFFFAOYSA-N
InChI=1S/C4H5N3O/c1-7-3-2-5-4(7)6-8/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula C4H5N3O
Molecular Weight 111.102
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 Mon Mar 31 21:59:34 GMT 2025
Edited
by admin
on Mon Mar 31 21:59:34 GMT 2025
Record UNII
FN48115PKU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHYL-2-NITROSOIMIDAZOLE
Systematic Name English
1-METHYL-2-NITROSO-1H-IMIDAZOLE
Preferred Name English
1H-IMIDAZOLE, 1-METHYL-2-NITROSO-
Systematic Name English
Code System Code Type Description
FDA UNII
FN48115PKU
Created by admin on Mon Mar 31 21:59:34 GMT 2025 , Edited by admin on Mon Mar 31 21:59:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID60151305
Created by admin on Mon Mar 31 21:59:34 GMT 2025 , Edited by admin on Mon Mar 31 21:59:34 GMT 2025
PRIMARY
CAS
116169-87-0
Created by admin on Mon Mar 31 21:59:34 GMT 2025 , Edited by admin on Mon Mar 31 21:59:34 GMT 2025
PRIMARY
PUBCHEM
146582
Created by admin on Mon Mar 31 21:59:34 GMT 2025 , Edited by admin on Mon Mar 31 21:59:34 GMT 2025
PRIMARY