AC1Q4DFP

4-methoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline

Also Known As: Oprea1_568537|4-Methoxy-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline|(4-Methoxy-phenyl)-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-amine|4-methoxy-N-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)aniline|4-methoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline|(4-METHOXY-PHENYL)-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-+|(4-methoxyphenyl)(5H,6H,7H,8H,9H-1,2,4-triazolo[4,5-a]azaperhydroepin-3-ylmeth yl)amine

Molecular Formula	C15H20N4O
Molecular Weight	272.1637 g/mol
LogP	2.6252
Topological Polar Surface Area	51.97 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	272.1637
Monoisotopic Mass	272.1637
Heavy Atoms	20
Complexity	561.7525

Chemical Identifiers

CAS Number	397291-55-3
SMILES	COC1=CC=C(C=C1)NCC2=NN=C3N2CCCCC3