3-Isopropyl-5-oxo-4,5-dihydro-[1,2,4]triazole-1-carboxylic acid tert-butylamide

Name: 3-Isopropyl-5-oxo-4,5-dihydro-[1,2,4]triazole-1-carboxylic acid tert-butylamide
Brand: ChemScene
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CAS No. 889062-05-9
Cat. No. CS-0341907
Purity≥98%
MDL No.MFCD11870864

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3-Isopropyl-5-oxo-4,5-dihydro-[1,2,4]triazole-1-carboxylic acid tert-butylamide|CS-0341907

Structure of 889062-05-9

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General Information

CAS No. 889062-05-9
Cat. No. CS-0341907
Purity ≥98%
MDL No. MFCD11870864
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₈N₄O₂
Molecular Weight 226.28
Synonym(s) N-TERT-BUTYL-3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE
SMILES CC(C1=NC(N(N1)C(NC(C)(C)C)=O)=O)C

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 79.78
LogP 1.051
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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3-Isopropyl-5-oxo-4,5-dihydro-[1,2,4]triazole-1-carboxylic acid tert-butylamide

CAS No. 889062-05-9

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