1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid

C10H12N2O4 — CID 62714802

IUPAC1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C2CCCC2O)n1
InChIInChI=1S/C10H12N2O4/c13-8-3-1-2-7(8)12-9(14)5-4-6(11-12)10(15)16/h4-5,7-8,13H,1-3H2,(H,15,16)
InChIKeyDJOPCOVDOLOUEP-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.03
Rot. Bonds2

About 1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid

1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 62714802) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid
PubChem CID62714802
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C2CCCC2O)n1
InChIInChI=1S/C10H12N2O4/c13-8-3-1-2-7(8)12-9(14)5-4-6(11-12)10(15)16/h4-5,7-8,13H,1-3H2,(H,15,16)
InChIKeyDJOPCOVDOLOUEP-UHFFFAOYSA-N
XLogP0.03
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid (CID 62714802) is 1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid is O=C(O)c1ccc(=O)n(C2CCCC2O)n1.
What is the InChIKey of 1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is DJOPCOVDOLOUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-8-3-1-2-7(8)12-9(14)5-4-6(11-12)10(15)16/h4-5,7-8,13H,1-3H2,(H,15,16).
What are the key properties of 1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid?
1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclopentyl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 62714802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).