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

C12H17N3O3 — CID 175514297

IUPAC(3R)-3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid
SMILESCc1cc(C)c(=O)n([C@@H]2CCCN(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)/t10-/m1/s1
InChIKeyWURMZMVMIRUFEN-SNVBAGLBSA-N
MW251.29 g/mol
LogP1.18
Rot. Bonds1

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

(3R)-3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid (PubChem CID 175514297) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid
PubChem CID175514297
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(3R)-3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid
SMILESCc1cc(C)c(=O)n([C@@H]2CCCN(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)/t10-/m1/s1
InChIKeyWURMZMVMIRUFEN-SNVBAGLBSA-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

Analyze (3R)-3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of (3R)-3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid (CID 175514297) is (3R)-3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid is Cc1cc(C)c(=O)n([C@@H]2CCCN(C(=O)O)C2)n1.
What is the InChIKey of (3R)-3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is WURMZMVMIRUFEN-SNVBAGLBSA-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)/t10-/m1/s1.
What are the key properties of (3R)-3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
(3R)-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 (3R)-3-(3,5-dimethyl-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 175514297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).