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889062-05-9

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Basic Information
CAS No.: 889062-05-9
Name: N-TERT-BUTYL-3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE
Molecular Structure:
Molecular Structure of 889062-05-9 (N-TERT-BUTYL-3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE)
Formula: C10H18N4O2
Molecular Weight: 226.28
Synonyms: N-tert-Butyl-3-isopropyl-5-oxo-2,5-dihydro-1H-1,2,4-triazole-1-carboxamide;
Density: 1.21 g/cm3
PSA: 79.78000
LogP: 1.44190
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Specification

The CAS register number of N-tert-Butyl-3-isopropyl-5-oxo-2,5-dihydro-1H-1,2,4-triazole-1-carboxamide is 889062-05-9. It also can be called as 1H-1,2,4-Triazole-1-carboxamide,N-(1,1-dimethylethyl)-2,5-dihydro-3-(1-methylethyl)-5-oxo- and the IUPAC name about this chemical is N-tert-butyl-3-oxo-5-propan-2-yl-1H-1,2,4-triazole-2-carboxamide. The molecular formula about this chemical is C10H18N4O2 and the molecular weight is 226.28.

Physical properties about N-tert-Butyl-3-isopropyl-5-oxo-2,5-dihydro-1H-1,2,4-triazole-1-carboxamide are: (1)#H bond acceptors: 6; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 73.8Å2; (5)Index of Refraction: 1.565; (6)Molar Refractivity: 60.5 cm3; (7)Molar Volume: 185.6 cm3; (8)Polarizability: 23.98x10-24cm3; (9)Surface Tension: 40.2 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1[nH]c(=O)n(n1)C(=O)NC(C)(C)C
(2)InChI: InChI=1/C10H18N4O2/c1-6(2)7-11-8(15)14(13-7)9(16)12-10(3,4)5/h6H,1-5H3,(H,12,16)(H,11,13,15)
(3)InChIKey: ROZCMVNPWNQNEH-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H18N4O2/c1-6(2)7-11-8(15)14(13-7)9(16)12-10(3,4)5/h6H,1-5H3,(H,12,16)(H,11,13,15)
(5)Std. InChIKey: ROZCMVNPWNQNEH-UHFFFAOYSA-N