126874-65-5
8-(1-METHYLETHYL)-2-(1H-TETRAZOL-5-YL)-11H-PYRIDO(2,1-B)QUINAZOLIN-11-ONE
Name8-(1-METHYLETHYL)-2-(1H-TETRAZOL-5-YL)-11H-PYRIDO(2,1-B)QUINAZOLIN-11-ONE
1Identification
【Name】
8-(1-METHYLETHYL)-2-(1H-TETRAZOL-5-YL)-11H-PYRIDO(2,1-B)QUINAZOLIN-11-ONE
【CAS】
【MDL】
MFCD01690085
【English Synonyms】
【Formula】
C16 H14 N6 O
【MolWeight】
306.328
【Inchi】
InChI=1S/C16H14N6O/c1-9(2)11-4-6-14-17-13-5-3-10(15-18-20-21-19-15)7-12(13)16(23)22(14)8-11/h3-9H,1-2H3,(H,18,19,20,21)
【InChIKey】
InChIKey=PLMCTCFGZLOZKC-UHFFFAOYSA-N
【SMILES】
CC(C)c1ccc2nc3ccc(cc3c(=O)n2c1)c4[nH]nnn4
【MOL File】
8-(1-METHYLETHYL)-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-(1-METHYLETHYL)-2-(1H-TETRAZOL-5-YL)-11H-PYRIDO(2,1-B)QUINAZOLIN-11-ONE.cml