57351-60-7
4-OXO-4,8-DIHYDRO-[1,2,4]TRIAZOLO[5,1-C][1,2,4]TRIAZINE-3-CARBOXYLIC ACID
Name4-OXO-4,8-DIHYDRO-[1,2,4]TRIAZOLO[5,1-C][1,2,4]TRIAZINE-3-CARBOXYLIC ACID
1Identification
【Name】
4-OXO-4,8-DIHYDRO-[1,2,4]TRIAZOLO[5,1-C][1,2,4]TRIAZINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD17779305
【English Synonyms】
【Formula】
C5 H3 N5 O3
【MolWeight】
181.111
【Inchi】
InChI=1S/C5H3N5O3/c11-3-2(4(12)13)8-9-5-6-1-7-10(3)5/h1H,(H,12,13)(H,6,7,9)
【InChIKey】
InChIKey=JIBDAVOXBCHZPL-UHFFFAOYSA-N
【SMILES】
c1[nH]c2nnc(c(=O)n2n1)C(=O)O
【MOL File】
4-OXO-4,8-DIHYDRO-[1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:-1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-OXO-4,8-DIHYDRO-[1,2,4]TRIAZOLO[5,1-C][1,2,4]TRIAZINE-3-CARBOXYLIC ACID.cml