Name: Name:1-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)piperazine trihydrochloride
Brand: Angene
SKU: AG01BUQ0
Rating: 90 (10 reviews)

1-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)piperazine trihydrochloride

CAS No.:

2031259-23-9

Catalog Number:

AG01BUQ0

Molecular Formula:

C12H24Cl3N5

Molecular Weight:

344.7115

Catalog Number:

AG01BUQ0

Chemical Name:

1-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)piperazine trihydrochloride

CAS Number:

2031259-23-9

Molecular Formula:

C12H24Cl3N5

Molecular Weight:

344.7115

MDL Number:

MFCD30345375

IUPAC Name:

3-(piperazin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;trihydrochloride

InChI:

InChI=1S/C12H21N5.3ClH/c1-2-4-11-14-15-12(17(11)7-3-1)10-16-8-5-13-6-9-16;;;/h13H,1-10H2;3*1H

InChI Key:

ALGVLQIRUVERAN-UHFFFAOYSA-N

SMILES:

N1CCN(CC1)Cc1nnc2n1CCCCC2.Cl.Cl.Cl

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

343.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

344.709g/mol

Monoisotopic Mass:

343.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: