6,7-DIMETHYL-2-PHENYL-1H,5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOLE-1,3,5(2H)-TRIONE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H11N3O3
Molecular Weight	257.2447
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6,7-DIMETHYL-2-PHENYL-1H,5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOLE-1,3,5(2H)-TRIONE

Structure Search

SMILES

CC1=C(C)C(=O)N2N1C(=O)N(C2=O)C3=CC=CC=C3

InChI

InChIKey=ADIPKVVCLKSSBN-UHFFFAOYSA-N

InChI=1S/C13H11N3O3/c1-8-9(2)15-12(18)14(10-6-4-3-5-7-10)13(19)16(15)11(8)17/h3-7H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H11N3O3
Molecular Weight	257.2447
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 19:33:50 GMT 2025` Edited by `admin` on `Tue Apr 01 19:33:50 GMT 2025`
Record UNII	J9Y3WTG88E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-370876

Preferred Name

English

6,7-DIMETHYL-2-PHENYL-1H,5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOLE-1,3,5(2H)-TRIONE

Systematic Name

English

1H,5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOLE-1,3,5(2H)-TRIONE, 6,7-DIMETHYL-2-PHENYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

J9Y3WTG88E

Created by admin on Tue Apr 01 19:33:50 GMT 2025 , Edited by admin on Tue Apr 01 19:33:50 GMT 2025

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EPA CompTox

DTXSID50231463

Created by admin on Tue Apr 01 19:33:50 GMT 2025 , Edited by admin on Tue Apr 01 19:33:50 GMT 2025

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CAS

81911-96-8

Created by admin on Tue Apr 01 19:33:50 GMT 2025 , Edited by admin on Tue Apr 01 19:33:50 GMT 2025

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NSC

370876

Created by admin on Tue Apr 01 19:33:50 GMT 2025 , Edited by admin on Tue Apr 01 19:33:50 GMT 2025

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PUBCHEM

340364

Created by admin on Tue Apr 01 19:33:50 GMT 2025 , Edited by admin on Tue Apr 01 19:33:50 GMT 2025

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