1126803-58-4
(6-CHLORO-PYRIMIDIN-4-YL)-(4H-[1,2,4]TRIAZOL-3-YL)-AMINE
Name(6-CHLORO-PYRIMIDIN-4-YL)-(4H-[1,2,4]TRIAZOL-3-YL)-AMINE
1Identification
【Name】
(6-CHLORO-PYRIMIDIN-4-YL)-(4H-[1,2,4]TRIAZOL-3-YL)-AMINE
【CAS】
【MDL】
MFCD10000673
【English Synonyms】
【Formula】
C6 H5 Cl N6
【MolWeight】
196.6
【Inchi】
InChI=1S/C6H5ClN6/c7-4-1-5(9-2-8-4)12-6-10-3-11-13-6/h1-3H,(H2,8,9,10,11,12,13)
【InChIKey】
InChIKey=KEXKKJVOJSXYRN-UHFFFAOYSA-N
【SMILES】
c1c(ncnc1Cl)Nc2[nH]cnn2
【MOL File】
(6-CHLORO-PYRIMIDIN-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(6-CHLORO-PYRIMIDIN-4-YL)-(4H-[1,2,4]TRIAZOL-3-YL)-AMINE.cml