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Details

Stereochemistry ACHIRAL
Molecular Formula C6H5N5
Molecular Weight 147.1374
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AMINO-4-CYANO-5-CYANOMETHYLPYRAZOLE

SMILES

NC1=C(C#N)C(CC#N)=NN1

InChI

InChIKey=GSXISOIYTHIBLC-UHFFFAOYSA-N
InChI=1S/C6H5N5/c7-2-1-5-4(3-8)6(9)11-10-5/h1H2,(H3,9,10,11)

HIDE SMILES / InChI

Molecular Formula C6H5N5
Molecular Weight 147.1374
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 12:27:50 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:50 GMT 2023
Record UNII
BGX2I4IB38
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-AMINO-4-CYANO-5-CYANOMETHYLPYRAZOLE
Systematic Name English
NSC-22478
Code English
1H-PYRAZOLE-3-ACETONITRILE, 5-AMINO-4-CYANO-
Systematic Name English
5-AMINO-4-CYANO-3-(CYANOMETHYL)PYRAZOLE
Systematic Name English
PYRAZOLE-3-ACETONITRILE, 5-AMINO-4-CYANO-
Systematic Name English
5-AMINO-4-CYANO-1H-PYRAZOLE-3-ACETONITRILE
Systematic Name English
5-AMINO-3-CYANOMETHYL-1H-PYRAZOLE-4-CARBONITRILE
Systematic Name English
4-PYRAZOLECARBONITRILE, 5-AMINO-3-CYANOMETHYL-
Systematic Name English
Code System Code Type Description
CAS
54711-21-6
Created by admin on Sat Dec 16 12:27:50 GMT 2023 , Edited by admin on Sat Dec 16 12:27:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID50203180
Created by admin on Sat Dec 16 12:27:50 GMT 2023 , Edited by admin on Sat Dec 16 12:27:50 GMT 2023
PRIMARY
ECHA (EC/EINECS)
259-299-3
Created by admin on Sat Dec 16 12:27:50 GMT 2023 , Edited by admin on Sat Dec 16 12:27:50 GMT 2023
PRIMARY
FDA UNII
BGX2I4IB38
Created by admin on Sat Dec 16 12:27:50 GMT 2023 , Edited by admin on Sat Dec 16 12:27:50 GMT 2023
PRIMARY
NSC
22478
Created by admin on Sat Dec 16 12:27:50 GMT 2023 , Edited by admin on Sat Dec 16 12:27:50 GMT 2023
PRIMARY
PUBCHEM
95185
Created by admin on Sat Dec 16 12:27:50 GMT 2023 , Edited by admin on Sat Dec 16 12:27:50 GMT 2023
PRIMARY