3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid

C7H9N3O4 — CID 170823498

IUPAC3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid
SMILESNc1ccc(C(O)C(O)C(=O)O)nn1
InChIInChI=1S/C7H9N3O4/c8-4-2-1-3(9-10-4)5(11)6(12)7(13)14/h1-2,5-6,11-12H,(H2,8,10)(H,13,14)
InChIKeyIDFLYVUHUHETNS-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.46
Rot. Bonds3

About 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid

3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid (PubChem CID 170823498) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid
PubChem CID170823498
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid
SMILESNc1ccc(C(O)C(O)C(=O)O)nn1
InChIInChI=1S/C7H9N3O4/c8-4-2-1-3(9-10-4)5(11)6(12)7(13)14/h1-2,5-6,11-12H,(H2,8,10)(H,13,14)
InChIKeyIDFLYVUHUHETNS-UHFFFAOYSA-N
XLogP-1.46
TPSA129.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-(6-aminopyridazin-3-yl)-2-hydroxyacetate
CID 175078662
2-Hydroxy-2-(6-methylpyridazin-3-yl)acetic acid
CID 82413482
1-(6-Aminopyridazin-3-yl)propane-1,2,3-triol
CID 170817391
2,3-Dihydroxy-3-(6-methylpyridazin-3-yl)propanoic acid
CID 170823434
3-(6-Chloropyridazin-3-yl)-2,3-dihydroxypropanoic acid
CID 170825008
Methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate
CID 171863528
Methyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate
CID 171863593
Ethyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate
CID 171865566
Ethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate
CID 171865629
2,3-Dihydroxy-3-(6-methylpyridazin-3-yl)propanamide
CID 171867616
3-(6-Aminopyridazin-3-yl)-2,3-dihydroxypropanamide
CID 171867681
1-(6-Aminopyridazin-3-yl)butane-1,2,4-triol
CID 171871817

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid (CID 170823498) is 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid is Nc1ccc(C(O)C(O)C(=O)O)nn1.
What is the InChIKey of 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid?
The InChIKey is IDFLYVUHUHETNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c8-4-2-1-3(9-10-4)5(11)6(12)7(13)14/h1-2,5-6,11-12H,(H2,8,10)(H,13,14).
What are the key properties of 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid?
3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid has a molecular weight of 199.17 g/mol, XLogP of -1.46, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170823498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).