4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H8N4
Molecular Weight	184.1973
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile

Structure Search

SMILES

N#CC1=CC=C(CN2C=NC=N2)C=C1

InChI

InChIKey=HQLYWHSJALKYOV-UHFFFAOYSA-N

InChI=1S/C10H8N4/c11-5-9-1-3-10(4-2-9)6-14-8-12-7-13-14/h1-4,7-8H,6H2

HIDE SMILES / InChI

Molecular Formula	C10H8N4
Molecular Weight	184.1973
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 19:52:05 GMT 2023` Edited by `admin` on `Sat Dec 16 19:52:05 GMT 2023`
Record UNII	BPS74SKX8K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile

Systematic Name

English

4-1-(1,2,4-Triazolyl)-methyl-benzonitrile

Systematic Name

English

1-(4-Cyanobenzyl)-1,2,4-triazole

Systematic Name

English

Benzonitrile, 4-(1H-1,2,4-triazol-1-ylmethyl)-

Systematic Name

English

4-2[1-(1,2,4-Triazol-1-yl)methyl]benzonitrile

Systematic Name

English

4-[(1H-1,2,4-Triazol-1-yl)methyl]benzonitrile

Systematic Name

English

4-[(1,2,4-Triazol-1-yl)methyl]benzonitrile

Systematic Name

English

Code System Code Type Description

CAS

112809-25-3

Created by admin on Sat Dec 16 19:52:05 GMT 2023 , Edited by admin on Sat Dec 16 19:52:05 GMT 2023

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FDA UNII

BPS74SKX8K

Created by admin on Sat Dec 16 19:52:05 GMT 2023 , Edited by admin on Sat Dec 16 19:52:05 GMT 2023

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PUBCHEM

7537616

Created by admin on Sat Dec 16 19:52:05 GMT 2023 , Edited by admin on Sat Dec 16 19:52:05 GMT 2023

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