889062-05-9
N-TERT-BUTYL-3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE
NameN-TERT-BUTYL-3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE
1Identification
【Name】
N-TERT-BUTYL-3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE
【CAS】
【MDL】
MFCD11870864
【English Synonyms】
【Formula】
C10 H18 N4 O2
【MolWeight】
226.278
【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)
【InChIKey】
InChIKey=ROZCMVNPWNQNEH-UHFFFAOYSA-N
【SMILES】
CC(C)c1[nH]c(=O)n(n1)C(=O)NC(C)(C)C
【MOL File】
N-TERT-BUTYL-3-ISOPR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
N-TERT-BUTYL-3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE.cml