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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C4H6N4O.H2O4S
Molecular Weight 350.312
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AMINO-4-CARBOXAMIDOPYRAZOLE HEMISULFATE

SMILES

OS(O)(=O)=O.NC(=O)C1=CNN=C1N.NC(=O)C2=CNN=C2N

InChI

InChIKey=UMPKASYMNORSRO-UHFFFAOYSA-N
InChI=1S/2C4H6N4O.H2O4S/c2*5-3-2(4(6)9)1-7-8-3;1-5(2,3)4/h2*1H,(H2,6,9)(H3,5,7,8);(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C4H6N4O
Molecular Weight 126.1166
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O4S
Molecular Weight 98.078
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 10:25:31 UTC 2023
Edited
by admin
on Sat Dec 16 10:25:31 UTC 2023
Record UNII
6H5TH7QBY8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-AMINO-4-CARBOXAMIDOPYRAZOLE HEMISULFATE
Systematic Name English
PYRAZOLE-4-CARBOXAMIDE, 3-AMINO-, SULFATE (2:1)
Systematic Name English
1H-PYRAZOLE-4-CARBOXAMIDE, 3-AMINO-, SULFATE (2:1)
Systematic Name English
3-AMINO-1H-PYRAZOLE-4-CARBOXAMIDE SULFATE (2:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90181933
Created by admin on Sat Dec 16 10:25:32 UTC 2023 , Edited by admin on Sat Dec 16 10:25:32 UTC 2023
PRIMARY
PUBCHEM
2723907
Created by admin on Sat Dec 16 10:25:32 UTC 2023 , Edited by admin on Sat Dec 16 10:25:32 UTC 2023
PRIMARY
FDA UNII
6H5TH7QBY8
Created by admin on Sat Dec 16 10:25:32 UTC 2023 , Edited by admin on Sat Dec 16 10:25:32 UTC 2023
PRIMARY
CAS
27511-79-1
Created by admin on Sat Dec 16 10:25:32 UTC 2023 , Edited by admin on Sat Dec 16 10:25:32 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE