5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one

C8H10ClN3O — CID 728321

IUPAC5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCCC2)c1Cl
InChIInChI=1S/C8H10ClN3O/c9-7-6(5-10-11-8(7)13)12-3-1-2-4-12/h5H,1-4H2,(H,11,13)
InChIKeyCMQXAJVJQMYVQC-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.02
Rot. Bonds1

About 5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one

5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one (PubChem CID 728321) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one
PubChem CID728321
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCCC2)c1Cl
InChIInChI=1S/C8H10ClN3O/c9-7-6(5-10-11-8(7)13)12-3-1-2-4-12/h5H,1-4H2,(H,11,13)
InChIKeyCMQXAJVJQMYVQC-UHFFFAOYSA-N
XLogP1.02
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one 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 5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one (CID 728321) is 5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The InChIKey is CMQXAJVJQMYVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c9-7-6(5-10-11-8(7)13)12-3-1-2-4-12/h5H,1-4H2,(H,11,13).
What are the key properties of 5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one has a molecular weight of 199.64 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-pyrrolidin-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 728321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).