Name: Name:{5H,6H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]oxazepin-3-yl}methanol
Brand: Angene
SKU: AG01B7EV
Rating: 90 (10 reviews)

{5H,6H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]oxazepin-3-yl}methanol

CAS No.:

2031269-23-3

Catalog Number:

AG01B7EV

Molecular Formula:

C7H11N3O2

Molecular Weight:

169.1811

Catalog Number:

AG01B7EV

Chemical Name:

{5H,6H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]oxazepin-3-yl}methanol

CAS Number:

2031269-23-3

Molecular Formula:

C7H11N3O2

Molecular Weight:

169.1811

MDL Number:

MFCD30345299

IUPAC Name:

5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepin-3-ylmethanol

InChI:

InChI=1S/C7H11N3O2/c11-5-7-9-8-6-1-3-12-4-2-10(6)7/h11H,1-5H2

InChI Key:

CHMIIDAKGWNKAF-UHFFFAOYSA-N

SMILES:

OCc1nnc2n1CCOCC2

Complexity:

156

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

169.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

169.184g/mol

Monoisotopic Mass:

169.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.6