875001-46-0
1-[4-(3-METHYL[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL)PHENYL]METHANAMINE
Name1-[4-(3-METHYL[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL)PHENYL]METHANAMINE
1Identification
【Name】
1-[4-(3-METHYL[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL)PHENYL]METHANAMINE
【CAS】
【MDL】
MFCD06666874
【English Synonyms】
【Formula】
C11 H11 N5 S
【MolWeight】
245.309
【Inchi】
InChI=1S/C11H11N5S/c1-7-13-14-11-16(7)15-10(17-11)9-4-2-8(6-12)3-5-9/h2-5H,6,12H2,1H3
【InChIKey】
InChIKey=WYXRKZMSYYCHSL-UHFFFAOYSA-N
【SMILES】
Cc1nnc2n1nc(s2)c3ccc(cc3)CN
【MOL File】
1-[4-(3-METHYL[1,2,4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[4-(3-METHYL[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL)PHENYL]METHANAMINE.cml