Name: Name:4-{5H,6H,7H,8H,9H,10H-[1,2,4]triazolo[4,3-a]azocin-3-yl}aniline
Brand: Angene
SKU: AG019K5R
Rating: 90 (10 reviews)

4-{5H,6H,7H,8H,9H,10H-[1,2,4]triazolo[4,3-a]azocin-3-yl}aniline

CAS No.:

923803-82-1

Catalog Number:

AG019K5R

Molecular Formula:

C14H18N4

Molecular Weight:

242.3195

Catalog Number:

AG019K5R

Chemical Name:

4-{5H,6H,7H,8H,9H,10H-[1,2,4]triazolo[4,3-a]azocin-3-yl}aniline

CAS Number:

923803-82-1

Molecular Formula:

C14H18N4

Molecular Weight:

242.3195

MDL Number:

MFCD08444440

IUPAC Name:

4-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)aniline

InChI:

InChI=1S/C14H18N4/c15-12-8-6-11(7-9-12)14-17-16-13-5-3-1-2-4-10-18(13)14/h6-9H,1-5,10,15H2

InChI Key:

VMISOIYJAHTARI-UHFFFAOYSA-N

SMILES:

Nc1ccc(cc1)c1nnc2n1CCCCCC2

Complexity:

263

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.153g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.326g/mol

Monoisotopic Mass:

242.153g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: