4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one

C13H21ClN4O — CID 114440604

IUPAC4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
SMILESCCn1ncc(NCC(C)N2CCCC2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-3-18-13(19)12(14)11(9-16-18)15-8-10(2)17-6-4-5-7-17/h9-10,15H,3-8H2,1-2H3
InChIKeyMZIKKQYYCPPCSW-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.81
Rot. Bonds5

About 4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one

4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one (PubChem CID 114440604) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
PubChem CID114440604
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
SMILESCCn1ncc(NCC(C)N2CCCC2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-3-18-13(19)12(14)11(9-16-18)15-8-10(2)17-6-4-5-7-17/h9-10,15H,3-8H2,1-2H3
InChIKeyMZIKKQYYCPPCSW-UHFFFAOYSA-N
XLogP1.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one (CID 114440604) is 4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one is CCn1ncc(NCC(C)N2CCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one?
The InChIKey is MZIKKQYYCPPCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-3-18-13(19)12(14)11(9-16-18)15-8-10(2)17-6-4-5-7-17/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one?
4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one has a molecular weight of 284.79 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one is sourced from PubChem (CID 114440604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).