Name: Name:4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenol
Brand: Angene
SKU: AG019K4K
Rating: 90 (10 reviews)

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

CAS No.:

923235-74-9

Catalog Number:

AG019K4K

Molecular Formula:

C13H15N3O

Molecular Weight:

229.2777

Catalog Number:

AG019K4K

Chemical Name:

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

CAS Number:

923235-74-9

Molecular Formula:

C13H15N3O

Molecular Weight:

229.2777

MDL Number:

MFCD08444392

IUPAC Name:

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

InChI:

InChI=1S/C13H15N3O/c17-11-7-5-10(6-8-11)13-15-14-12-4-2-1-3-9-16(12)13/h5-8,17H,1-4,9H2

InChI Key:

KUDKLPOAPCJLAA-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1)c1nnc2n1CCCCC2

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.283g/mol

Monoisotopic Mass:

229.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8