80761-64-4
ISONICOTINIC ACID 2-(6,8-DIOXO-5,6,7,8-TETRAHYDROPYRIMIDO(4,5-E)-AS-TRIAZIN-3-YL)HYDRAZIDE DIHYDRATE
NameISONICOTINIC ACID 2-(6,8-DIOXO-5,6,7,8-TETRAHYDROPYRIMIDO(4,5-E)-AS-TRIAZIN-3-YL)HYDRAZIDE DIHYDRATE
pro_formulaC11 H8 N8 O3 . 2 H2 O
1Identification
【Name】
ISONICOTINIC ACID 2-(6,8-DIOXO-5,6,7,8-TETRAHYDROPYRIMIDO(4,5-E)-AS-TRIAZIN-3-YL)HYDRAZIDE DIHYDRATE
【CAS】
【MDL】
MFCD01717824
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H8 N8 O3 . 2 H2 O
【pro_molWeight】
336.267
【Inchi】
InChI=1S/C11H8N8O3.2H2O/c20-8(5-1-3-12-4-2-5)17-19-10-13-7-6(16-18-10)9(21)15-11(22)14-7;;/h1-4H,(H,17,20)(H3,13,14,15,18,19,21,22);2*1H2
【InChIKey】
InChIKey=XVQBAYXDNNZWNS-UHFFFAOYSA-N
【SMILES】
c1cnccc1C(=O)NNc2nc3c(c(=O)[nH]c(=O)[nH]3)nn2.O.O
【MOL File】
ISONICOTINIC ACID 2-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:11
XLogP3:-1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ISONICOTINIC ACID 2-(6,8-DIOXO-5,6,7,8-TETRAHYDROPYRIMIDO(4,5-E)-AS-TRIAZIN-3-YL)HYDRAZIDE DIHYDRATE.cml