4-amino-1-(2-(2,4-difluorophenyl)-2-oxoethyl)-1H-1,2,4-triazol-4-ium chloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H9F2N4O.Cl
Molecular Weight	274.654
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-amino-1-(2-(2,4-difluorophenyl)-2-oxoethyl)-1H-1,2,4-triazol-4-ium chloride

Structure Search

SMILES

[Cl-].N[N+]1=CN(CC(=O)C2=C(F)C=C(F)C=C2)N=C1

InChI

InChIKey=JICMADFMAUXCJV-UHFFFAOYSA-M

InChI=1S/C10H9F2N4O.ClH/c11-7-1-2-8(9(12)3-7)10(17)4-16-6-15(13)5-14-16;/h1-3,5-6H,4,13H2;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	Cl
Molecular Weight	35.453
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C10H9F2N4O
Molecular Weight	239.2015
Charge	1
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 19:56:09 GMT 2023` Edited by `admin` on `Sat Dec 16 19:56:09 GMT 2023`
Record UNII	38KH4J796L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-amino-1-(2-(2,4-difluorophenyl)-2-oxoethyl)-1H-1,2,4-triazol-4-ium chloride

Systematic Name

English

4H-1,2,4-Triazolium, 4-amino-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-, chloride (1:1)

Systematic Name

English

4-Amino-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4H-1,2,4-triazolium chloride

Systematic Name

English

1H-1,2,4-Triazolium, 4-amino-1-[2-(2,4-difluorophenyl)-2-oxoethyl]-, chloride

Systematic Name

English

Code System Code Type Description

FDA UNII

38KH4J796L

Created by admin on Sat Dec 16 19:56:09 GMT 2023 , Edited by admin on Sat Dec 16 19:56:09 GMT 2023

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CAS

154534-83-5

Created by admin on Sat Dec 16 19:56:09 GMT 2023 , Edited by admin on Sat Dec 16 19:56:09 GMT 2023

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PUBCHEM

10401149

Created by admin on Sat Dec 16 19:56:09 GMT 2023 , Edited by admin on Sat Dec 16 19:56:09 GMT 2023

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Related Record Type Details


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4-Amino-1-(2-(2,4-difluorophenyl)-2-oxoethyl)-1H-1,2,4-triazol-4-ium

PARENT -> SALT/SOLVATE

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