889062-06-0
N-TERT-BUTYL-3-(2-HYDROXYPROPAN-2-YL)-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE
NameN-TERT-BUTYL-3-(2-HYDROXYPROPAN-2-YL)-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE
1Identification
【Name】
N-TERT-BUTYL-3-(2-HYDROXYPROPAN-2-YL)-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE
【CAS】
【MDL】
MFCD11870866
【English Synonyms】
【Formula】
C10 H18 N4 O3
【MolWeight】
242.277
【Inchi】
InChI=1S/C10H18N4O3/c1-9(2,3)12-8(16)14-7(15)11-6(13-14)10(4,5)17/h17H,1-5H3,(H,12,16)(H,11,13,15)
【InChIKey】
InChIKey=RLWLJHDVGCZVBM-UHFFFAOYSA-N
【SMILES】
CC(C)(C)NC(=O)n1c(=O)[nH]c(n1)C(C)(C)O
【MOL File】
N-TERT-BUTYL-3-(2-HY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
N-TERT-BUTYL-3-(2-HYDROXYPROPAN-2-YL)-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE.cml