4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one

C11H16ClN3O — CID 35142268

IUPAC4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCC(C)n1ncc(N2CCCC2)c(Cl)c1=O
InChIInChI=1S/C11H16ClN3O/c1-8(2)15-11(16)10(12)9(7-13-15)14-5-3-4-6-14/h7-8H,3-6H2,1-2H3
InChIKeyYNMSWVKECMVVNZ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.08
Rot. Bonds2

About 4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one

4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 35142268) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID35142268
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCC(C)n1ncc(N2CCCC2)c(Cl)c1=O
InChIInChI=1S/C11H16ClN3O/c1-8(2)15-11(16)10(12)9(7-13-15)14-5-3-4-6-14/h7-8H,3-6H2,1-2H3
InChIKeyYNMSWVKECMVVNZ-UHFFFAOYSA-N
XLogP2.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-t-butyl-4-chloro-5-dimethylamino-3(2H)-pyridazinone
CID 18918858
4-chloro-2-methyl-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 33286634
5-chloro-4-[(2S)-2-methylpyrrolidin-1-yl]-1H-pyridazin-6-one
CID 173954157
4-Chloro-2-(2-hydroxy-2-methylpropyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 173954161
5-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]-1H-pyridazin-6-one
CID 173954163
4-Chloro-2-(3-hydroxypropyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 173954169
2-(2-Aminoethyl)-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
CID 173954170
4-Chloro-2-(2-methoxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 173954177
4-chloro-5-(diethylamino)-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1474949
4-chloro-2-ethyl-5-(piperidin-1-yl)pyridazin-3(2H)-one
CID 8069385
4-chloro-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 14910724
5-(Azepan-1-yl)-4-chloro-2-ethylpyridazin-3-one
CID 19245618

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one (CID 35142268) is 4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one is CC(C)n1ncc(N2CCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is YNMSWVKECMVVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8(2)15-11(16)10(12)9(7-13-15)14-5-3-4-6-14/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one?
4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 241.72 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 35142268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).