4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one

C13H21ClN4O2 — CID 114446982

IUPAC4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one
SMILESCNCC1CCCN1c1cnn(CCOC)c(=O)c1Cl
InChIInChI=1S/C13H21ClN4O2/c1-15-8-10-4-3-5-17(10)11-9-16-18(6-7-20-2)13(19)12(11)14/h9-10,15H,3-8H2,1-2H3
InChIKeyIYYYDFZNJSYHQD-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.73
Rot. Bonds6

About 4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one

4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one (PubChem CID 114446982) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one
PubChem CID114446982
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one
SMILESCNCC1CCCN1c1cnn(CCOC)c(=O)c1Cl
InChIInChI=1S/C13H21ClN4O2/c1-15-8-10-4-3-5-17(10)11-9-16-18(6-7-20-2)13(19)12(11)14/h9-10,15H,3-8H2,1-2H3
InChIKeyIYYYDFZNJSYHQD-UHFFFAOYSA-N
XLogP0.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-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

4-chloro-2-(2-methoxyethyl)-5-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one
CID 114444903
4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114436261
5-[2-(aminomethyl)piperidin-1-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
CID 114444385
4-chloro-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 14910722
4-bromo-2-(2-methoxyethyl)-5-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one
CID 114444913
4-bromo-5-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114447001
5-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
CID 114447078
1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine
CID 106553526
4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
CID 66864935
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
CID 114446133
4-bromo-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)morpholin-4-yl]pyridazin-3-one
CID 114446617
4-chloro-5-[(2-hydroxycycloheptyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114441395

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one (CID 114446982) is 4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one is CNCC1CCCN1c1cnn(CCOC)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one?
The InChIKey is IYYYDFZNJSYHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-15-8-10-4-3-5-17(10)11-9-16-18(6-7-20-2)13(19)12(11)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one?
4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one has a molecular weight of 300.79 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethyl)-5-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 114446982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).