894807-97-7
5-BROMO-3-(HEXAHYDRO-4-METHYL-1H-1,4-DIAZEPIN-1-YL)-2-PYRAZINAMINE
Name5-BROMO-3-(HEXAHYDRO-4-METHYL-1H-1,4-DIAZEPIN-1-YL)-2-PYRAZINAMINE
1Identification
【Name】
5-BROMO-3-(HEXAHYDRO-4-METHYL-1H-1,4-DIAZEPIN-1-YL)-2-PYRAZINAMINE
【CAS】
【MDL】
MFCD17012117
【English Synonyms】
【Formula】
C10 H16 Br N5
【MolWeight】
286.175
【Inchi】
InChI=1S/C10H16BrN5/c1-15-3-2-4-16(6-5-15)10-9(12)13-7-8(11)14-10/h7H,2-6H2,1H3,(H2,12,13)
【InChIKey】
InChIKey=LPKNKJFVNHRDAK-UHFFFAOYSA-N
【SMILES】
CN1CCCN(CC1)c2c(ncc(n2)Br)N
【MOL File】
5-BROMO-3-(HEXAHYDRO….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
5-BROMO-3-(HEXAHYDRO-4-METHYL-1H-1,4-DIAZEPIN-1-YL)-2-PYRAZINAMINE.cml