3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid

C12H17N3O3 — CID 175514300

IUPAC3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid
SMILESCc1cc(C)c(=O)n(C2CCCN(C(=O)O)C2)n1
InChIInChI=1S/C12H17N3O3/c1-8-6-9(2)13-15(11(8)16)10-4-3-5-14(7-10)12(17)18/h6,10H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyWURMZMVMIRUFEN-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.18
Rot. Bonds1

About 3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid

3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid (PubChem CID 175514300) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid
PubChem CID175514300
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid
SMILESCc1cc(C)c(=O)n(C2CCCN(C(=O)O)C2)n1
InChIInChI=1S/C12H17N3O3/c1-8-6-9(2)13-15(11(8)16)10-4-3-5-14(7-10)12(17)18/h6,10H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyWURMZMVMIRUFEN-UHFFFAOYSA-N
XLogP1.18
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid (CID 175514300) is 3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid is Cc1cc(C)c(=O)n(C2CCCN(C(=O)O)C2)n1.
What is the InChIKey of 3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is WURMZMVMIRUFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-6-9(2)13-15(11(8)16)10-4-3-5-14(7-10)12(17)18/h6,10H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 175514300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).