3-(4,6-DIAMINO-2,2-DIMETHYL-1,3,5-TRIAZIN-1(2H)-YL)BENZONITRILE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H14N6
Molecular Weight	242.2798
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(4,6-DIAMINO-2,2-DIMETHYL-1,3,5-TRIAZIN-1(2H)-YL)BENZONITRILE

Structure Search

SMILES

CC1(C)N=C(N)N=C(N)N1C2=CC=CC(=C2)C#N

InChI

InChIKey=NCLZDLNUFXETQQ-UHFFFAOYSA-N

InChI=1S/C12H14N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-4-8(6-9)7-13/h3-6H,1-2H3,(H4,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula	C12H14N6
Molecular Weight	242.2798
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 16:48:46 GMT 2025` Edited by `admin` on `Tue Apr 01 16:48:46 GMT 2025`
Record UNII	TQ8Q53FMH7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-115928

Preferred Name

English

3-(4,6-DIAMINO-2,2-DIMETHYL-1,3,5-TRIAZIN-1(2H)-YL)BENZONITRILE

Systematic Name

English

BENZONITRILE, 3-(4,6-DIAMINO-2,2-DIMETHYL-1,3,5-TRIAZIN-1(2H)-YL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

TQ8Q53FMH7

Created by admin on Tue Apr 01 16:48:46 GMT 2025 , Edited by admin on Tue Apr 01 16:48:46 GMT 2025

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PUBCHEM

271921

Created by admin on Tue Apr 01 16:48:46 GMT 2025 , Edited by admin on Tue Apr 01 16:48:46 GMT 2025

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NSC

115928

Created by admin on Tue Apr 01 16:48:46 GMT 2025 , Edited by admin on Tue Apr 01 16:48:46 GMT 2025

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CAS

70743-55-4

Created by admin on Tue Apr 01 16:48:46 GMT 2025 , Edited by admin on Tue Apr 01 16:48:46 GMT 2025

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EPA CompTox

DTXSID00221011

Created by admin on Tue Apr 01 16:48:46 GMT 2025 , Edited by admin on Tue Apr 01 16:48:46 GMT 2025

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