Name: Name:2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-2-yl}acetic acid
Brand: Angene
SKU: AG019L2F
Rating: 90 (10 reviews)

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

CAS No.:

950114-53-1

Catalog Number:

AG019L2F

Molecular Formula:

C9H13N3O3

Molecular Weight:

211.2178

Catalog Number:

AG019L2F

Chemical Name:

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

CAS Number:

950114-53-1

Molecular Formula:

C9H13N3O3

Molecular Weight:

211.2178

MDL Number:

MFCD09802178

IUPAC Name:

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

InChI:

InChI=1S/C9H13N3O3/c13-8(14)6-12-9(15)11-5-3-1-2-4-7(11)10-12/h1-6H2,(H,13,14)

InChI Key:

MJUSVNLNPPZGSP-UHFFFAOYSA-N

SMILES:

OC(=O)Cn1nc2n(c1=O)CCCCC2

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.221g/mol

Monoisotopic Mass:

211.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1