Name: Name:1-(2-hydroxyethyl)-1,2,3,6-tetrahydropyridazine-3,6-dione
Brand: Angene
SKU: AG01C2D1
Rating: 90 (10 reviews)

1-(2-hydroxyethyl)-1,2,3,6-tetrahydropyridazine-3,6-dione

CAS No.:

17285-14-2

Catalog Number:

AG01C2D1

Molecular Formula:

C6H8N2O3

Molecular Weight:

156.1393

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Product Description

Catalog Number:

AG01C2D1

Chemical Name:

1-(2-hydroxyethyl)-1,2,3,6-tetrahydropyridazine-3,6-dione

CAS Number:

17285-14-2

Molecular Formula:

C6H8N2O3

Molecular Weight:

156.1393

MDL Number:

MFCD12186800

IUPAC Name:

2-(2-hydroxyethyl)-1H-pyridazine-3,6-dione

InChI:

InChI=1S/C6H8N2O3/c9-4-3-8-6(11)2-1-5(10)7-8/h1-2,9H,3-4H2,(H,7,10)

InChI Key:

LQGNTFKZYOFBHK-UHFFFAOYSA-N

SMILES:

OCCn1[nH]c(=O)ccc1=O

NSC Number:

21413

Properties

Complexity:

212

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

156.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

156.141g/mol

Monoisotopic Mass:

156.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101