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

C8H11N3O4 — CID 171863593

IUPACmethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C8H11N3O4/c1-15-8(14)7(13)6(12)4-2-3-5(9)11-10-4/h2-3,6-7,12-13H,1H3,(H2,9,11)
InChIKeyDWQIHCFWOSVDQN-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.37
Rot. Bonds3

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

methyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate (PubChem CID 171863593) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is methyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate
PubChem CID171863593
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Namemethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C8H11N3O4/c1-15-8(14)7(13)6(12)4-2-3-5(9)11-10-4/h2-3,6-7,12-13H,1H3,(H2,9,11)
InChIKeyDWQIHCFWOSVDQN-UHFFFAOYSA-N
XLogP-1.37
TPSA118.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.37
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-chloropyridazin-3-yl)-2,3-dihydroxypropanoate
CID 171865103
Ethyl 2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propanoate
CID 171865566
Ethyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate
CID 171865629
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 methyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate (CID 171863593) is methyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1ccc(N)nn1.
What is the InChIKey of methyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate?
The InChIKey is DWQIHCFWOSVDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-15-8(14)7(13)6(12)4-2-3-5(9)11-10-4/h2-3,6-7,12-13H,1H3,(H2,9,11).
What are the key properties of methyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate?
methyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate has a molecular weight of 213.19 g/mol, XLogP of -1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171863593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).