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Details

Stereochemistry ACHIRAL
Molecular Formula C6H5N4O.Na
Molecular Weight 172.1199
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 5-METHYL-(1,2,4)TRIAZOLO(1,5-A)PYRIMIDIN-7(1H)-ONE

SMILES

[Na+].CC1=NC2=NC=NN2C([O-])=C1

InChI

InChIKey=SCUXDVHDVBHAIH-UHFFFAOYSA-M
InChI=1S/C6H6N4O.Na/c1-4-2-5(11)10-6(9-4)7-3-8-10;/h2-3,11H,1H3;/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 Tue Apr 01 19:30:06 GMT 2025
Edited
by admin
on Tue Apr 01 19:30:06 GMT 2025
Record UNII
4UCP32ISO2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 5-METHYL-(1,2,4)TRIAZOLO(1,5-A)PYRIMIDIN-7(1H)-ONE
Systematic Name English
(1,2,4)TRIAZOLO(1,5-A)PYRIMIDIN-7-OL, 5-METHYL-, SODIUM SALT
Preferred Name English
SODIUM, ((5-METHYL-S-TRIAZOLO(1,5-A)PYRIMIDIN-7-YL)OXY)-
Systematic Name English
(1,2,4)TRIAZOLO(1,5-A)PYRIMIDIN-7-OL, 5-METHYL-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
4UCP32ISO2
Created by admin on Tue Apr 01 19:30:06 GMT 2025 , Edited by admin on Tue Apr 01 19:30:06 GMT 2025
PRIMARY
CAS
38299-08-0
Created by admin on Tue Apr 01 19:30:06 GMT 2025 , Edited by admin on Tue Apr 01 19:30:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID4068086
Created by admin on Tue Apr 01 19:30:06 GMT 2025 , Edited by admin on Tue Apr 01 19:30:06 GMT 2025
PRIMARY
PUBCHEM
23688967
Created by admin on Tue Apr 01 19:30:06 GMT 2025 , Edited by admin on Tue Apr 01 19:30:06 GMT 2025
PRIMARY
ECHA (EC/EINECS)
253-866-9
Created by admin on Tue Apr 01 19:30:06 GMT 2025 , Edited by admin on Tue Apr 01 19:30:06 GMT 2025
PRIMARY