ethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate

C9H13N3O4 — CID 171865629

IUPACethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C9H13N3O4/c1-2-16-9(15)8(14)7(13)5-3-4-6(10)12-11-5/h3-4,7-8,13-14H,2H2,1H3,(H2,10,12)
InChIKeySQVHMTDYHPEMQV-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.98
Rot. Bonds4

About ethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate

ethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate (PubChem CID 171865629) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is ethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate
PubChem CID171865629
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Nameethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C9H13N3O4/c1-2-16-9(15)8(14)7(13)5-3-4-6(10)12-11-5/h3-4,7-8,13-14H,2H2,1H3,(H2,10,12)
InChIKeySQVHMTDYHPEMQV-UHFFFAOYSA-N
XLogP-0.98
TPSA118.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 2-(6-aminopyridazin-3-yl)-2-hydroxyacetate
CID 175078662
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-Aminopyridazin-3-yl)-2,3-dihydroxypropanoic acid
CID 170823498
Methyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate
CID 171863528
Methyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate
CID 171863593
Methyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate
CID 171865103
Ethyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate
CID 171865566
Ethyl 3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropanoate
CID 171867147
2,3-Dihydroxy-3-(6-methylpyridazin-3-yl)propanamide
CID 171867616
3-(6-Aminopyridazin-3-yl)-2,3-dihydroxypropanamide
CID 171867681
4-(6-Aminopyridazin-3-yl)-3,4-dihydroxybutanoic acid
CID 171877192

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate?
The IUPAC name of ethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate (CID 171865629) is ethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate is CCOC(=O)C(O)C(O)c1ccc(N)nn1.
What is the InChIKey of ethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate?
The InChIKey is SQVHMTDYHPEMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-2-16-9(15)8(14)7(13)5-3-4-6(10)12-11-5/h3-4,7-8,13-14H,2H2,1H3,(H2,10,12).
What are the key properties of ethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate?
ethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate has a molecular weight of 227.22 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171865629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).