2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one

C10H16ClN3O2 — CID 114394233

IUPAC2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CCOCCCl)c(=O)c1
InChIInChI=1S/C10H16ClN3O2/c1-13(2)9-7-10(15)14(12-8-9)4-6-16-5-3-11/h7-8H,3-6H2,1-2H3
InChIKeyXHNFNELPPDYPNR-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.56
Rot. Bonds6

About 2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one

2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one (PubChem CID 114394233) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one
PubChem CID114394233
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CCOCCCl)c(=O)c1
InChIInChI=1S/C10H16ClN3O2/c1-13(2)9-7-10(15)14(12-8-9)4-6-16-5-3-11/h7-8H,3-6H2,1-2H3
InChIKeyXHNFNELPPDYPNR-UHFFFAOYSA-N
XLogP0.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one (CID 114394233) is 2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(CCOCCCl)c(=O)c1.
What is the InChIKey of 2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one?
The InChIKey is XHNFNELPPDYPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-13(2)9-7-10(15)14(12-8-9)4-6-16-5-3-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one?
2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one has a molecular weight of 245.71 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 114394233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).