2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

C10H13N3O5 — CID 79403973

IUPAC2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H13N3O5/c14-6-3-12(4-7(6)15)10(18)5-13-9(17)2-1-8(16)11-13/h1-2,6-7,14-15H,3-5H2,(H,11,16)/t6-,7+
InChIKeyFSEWPFHOWWJNGV-KNVOCYPGSA-N
MW255.23 g/mol
LogP-2.90
Rot. Bonds2

About 2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 79403973) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID79403973
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H13N3O5/c14-6-3-12(4-7(6)15)10(18)5-13-9(17)2-1-8(16)11-13/h1-2,6-7,14-15H,3-5H2,(H,11,16)/t6-,7+
InChIKeyFSEWPFHOWWJNGV-KNVOCYPGSA-N
XLogP-2.90
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-2.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione with MolForge

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 54993292
N-butyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 61448247
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62333664
2-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62371663
2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62917770
2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63105860
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxy-3-methoxypropyl)acetamide
CID 64284223
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 64911783
2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 66052369
N-(2,3-dihydroxy-2-methylpropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 66169165
N-(2,3-dihydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 66177479
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 66262147

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 79403973) is 2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of 2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is FSEWPFHOWWJNGV-KNVOCYPGSA-N. The full InChI is InChI=1S/C10H13N3O5/c14-6-3-12(4-7(6)15)10(18)5-13-9(17)2-1-8(16)11-13/h1-2,6-7,14-15H,3-5H2,(H,11,16)/t6-,7+.
What are the key properties of 2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 255.23 g/mol, XLogP of -2.90, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 79403973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).