6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid

C11H14N2O3 — CID 139522052

IUPAC6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid
SMILESCCCC1CC1n1nc(C(=O)O)ccc1=O
InChIInChI=1S/C11H14N2O3/c1-2-3-7-6-9(7)13-10(14)5-4-8(12-13)11(15)16/h4-5,7,9H,2-3,6H2,1H3,(H,15,16)
InChIKeyDLGCMRRPJRXMOT-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.30
Rot. Bonds4

About 6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid

6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid (PubChem CID 139522052) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid
PubChem CID139522052
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid
SMILESCCCC1CC1n1nc(C(=O)O)ccc1=O
InChIInChI=1S/C11H14N2O3/c1-2-3-7-6-9(7)13-10(14)5-4-8(12-13)11(15)16/h4-5,7,9H,2-3,6H2,1H3,(H,15,16)
InChIKeyDLGCMRRPJRXMOT-UHFFFAOYSA-N
XLogP1.30
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid (CID 139522052) is 6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid is CCCC1CC1n1nc(C(=O)O)ccc1=O.
What is the InChIKey of 6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid?
The InChIKey is DLGCMRRPJRXMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-3-7-6-9(7)13-10(14)5-4-8(12-13)11(15)16/h4-5,7,9H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid?
6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2-propylcyclopropyl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 139522052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).