1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol

C9H13N3O3 — CID 106673493

IUPAC1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol
SMILESOCc1ccc(N2CC(O)C(O)C2)nn1
InChIInChI=1S/C9H13N3O3/c13-5-6-1-2-9(11-10-6)12-3-7(14)8(15)4-12/h1-2,7-8,13-15H,3-5H2
InChIKeyJULIVVJRQGKWIE-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.49
Rot. Bonds2

About 1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol

1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol (PubChem CID 106673493) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol
PubChem CID106673493
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol
SMILESOCc1ccc(N2CC(O)C(O)C2)nn1
InChIInChI=1S/C9H13N3O3/c13-5-6-1-2-9(11-10-6)12-3-7(14)8(15)4-12/h1-2,7-8,13-15H,3-5H2
InChIKeyJULIVVJRQGKWIE-UHFFFAOYSA-N
XLogP-1.49
TPSA89.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol (CID 106673493) is 1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol is OCc1ccc(N2CC(O)C(O)C2)nn1.
What is the InChIKey of 1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol?
The InChIKey is JULIVVJRQGKWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-5-6-1-2-9(11-10-6)12-3-7(14)8(15)4-12/h1-2,7-8,13-15H,3-5H2.
What are the key properties of 1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol?
1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol has a molecular weight of 211.22 g/mol, XLogP of -1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(hydroxymethyl)pyridazin-3-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106673493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).