Name: Name:4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl}aniline
Brand: Angene
SKU: AG01A711
Rating: 90 (10 reviews)

4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl}aniline

CAS No.:

1094444-95-7

Catalog Number:

AG01A711

Molecular Formula:

C14H18N4

Molecular Weight:

242.3195

Catalog Number:

AG01A711

Chemical Name:

4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl}aniline

CAS Number:

1094444-95-7

Molecular Formula:

C14H18N4

Molecular Weight:

242.3195

MDL Number:

MFCD11181301

IUPAC Name:

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

InChI:

InChI=1S/C14H18N4/c15-12-7-5-11(6-8-12)10-14-17-16-13-4-2-1-3-9-18(13)14/h5-8H,1-4,9-10,15H2

InChI Key:

NCPHHZCFNVXBJO-UHFFFAOYSA-N

SMILES:

Nc1ccc(cc1)Cc1nnc2n1CCCCC2

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:

1.8