1177338-16-7
2-(3,5-DIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZIN-6-YLAMINO)-2-METHYL-BUTYRIC ACID
Name2-(3,5-DIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZIN-6-YLAMINO)-2-METHYL-BUTYRIC ACID
1Identification
【Name】
2-(3,5-DIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZIN-6-YLAMINO)-2-METHYL-BUTYRIC ACID
【CAS】
【MDL】
MFCD02043656
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C8 H12 N4 O4
【pro_molWeight】
228.207
【Inchi】
InChI=1S/C8H12N4O4/c1-3-8(2,6(14)15)10-4-5(13)9-7(16)12-11-4/h3H2,1-2H3,(H,10,11)(H,14,15)(H2,9,12,13,16)
【InChIKey】
InChIKey=JZKBRPPUPXUWOH-UHFFFAOYSA-N
【SMILES】
CCC(C)(C(=O)O)Nc1c(=O)[nH]c(=O)[nH]n1
【MOL File】
2-(3,5-DIOXO-2,3,4,5….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:8
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(3,5-DIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZIN-6-YLAMINO)-2-METHYL-BUTYRIC ACID.cml