3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium

C20H28Cl2N6O3V — CID 159785041

IUPAC3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium
SMILESO=c1[nH]nc(Cl)cc1N1CCCCC1.OCCOc1nnc(Cl)cc1N1CCCCC1.[V]
InChIInChI=1S/C11H16ClN3O2.C9H12ClN3O.V/c12-10-8-9(15-4-2-1-3-5-15)11(14-13-10)17-7-6-16;10-8-6-7(9(14)12-11-8)13-4-2-1-3-5-13;/h8,16H,1-7H2;6H,1-5H2,(H,12,14);
InChIKeyWLTQUKWNQXFUNR-UHFFFAOYSA-N
MW522.33 g/mol
LogP2.90
Rot. Bonds5

About 3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium

3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium (PubChem CID 159785041) has the molecular formula C20H28Cl2N6O3V and a molecular weight of 522.33 g/mol. Its IUPAC name is 3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium.

Molecular Properties

Compound Name3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium
PubChem CID159785041
Molecular FormulaC20H28Cl2N6O3V
Molecular Weight522.33 g/mol
Exact Mass521.10
IUPAC Name3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium
SMILESO=c1[nH]nc(Cl)cc1N1CCCCC1.OCCOc1nnc(Cl)cc1N1CCCCC1.[V]
InChIInChI=1S/C11H16ClN3O2.C9H12ClN3O.V/c12-10-8-9(15-4-2-1-3-5-15)11(14-13-10)17-7-6-16;10-8-6-7(9(14)12-11-8)13-4-2-1-3-5-13;/h8,16H,1-7H2;6H,1-5H2,(H,12,14);
InChIKeyWLTQUKWNQXFUNR-UHFFFAOYSA-N
XLogP2.90
TPSA107.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium 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 3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium?
The IUPAC name of 3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium (CID 159785041) is 3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium.
What is the SMILES notation for 3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium?
The canonical SMILES for 3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium is O=c1[nH]nc(Cl)cc1N1CCCCC1.OCCOc1nnc(Cl)cc1N1CCCCC1.[V].
What is the InChIKey of 3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium?
The InChIKey is WLTQUKWNQXFUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2.C9H12ClN3O.V/c12-10-8-9(15-4-2-1-3-5-15)11(14-13-10)17-7-6-16;10-8-6-7(9(14)12-11-8)13-4-2-1-3-5-13;/h8,16H,1-7H2;6H,1-5H2,(H,12,14);.
What are the key properties of 3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium?
3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium has a molecular weight of 522.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-piperidin-1-yl-1H-pyridazin-6-one;2-(6-chloro-4-piperidin-1-ylpyridazin-3-yl)oxyethanol;vanadium is sourced from PubChem (CID 159785041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).