5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one

C13H16N4O2 — CID 103222937

IUPAC5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one
SMILESCC(N)COc1cnn(Cc2ccncc2)c(=O)c1
InChIInChI=1S/C13H16N4O2/c1-10(14)9-19-12-6-13(18)17(16-7-12)8-11-2-4-15-5-3-11/h2-7,10H,8-9,14H2,1H3
InChIKeyLJLVVHQJRBIDNG-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.41
Rot. Bonds5

About 5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one

5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one (PubChem CID 103222937) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one
PubChem CID103222937
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one
SMILESCC(N)COc1cnn(Cc2ccncc2)c(=O)c1
InChIInChI=1S/C13H16N4O2/c1-10(14)9-19-12-6-13(18)17(16-7-12)8-11-2-4-15-5-3-11/h2-7,10H,8-9,14H2,1H3
InChIKeyLJLVVHQJRBIDNG-UHFFFAOYSA-N
XLogP0.41
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one (CID 103222937) is 5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one is CC(N)COc1cnn(Cc2ccncc2)c(=O)c1.
What is the InChIKey of 5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one?
The InChIKey is LJLVVHQJRBIDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10(14)9-19-12-6-13(18)17(16-7-12)8-11-2-4-15-5-3-11/h2-7,10H,8-9,14H2,1H3.
What are the key properties of 5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one?
5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one has a molecular weight of 260.30 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropoxy)-2-(pyridin-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103222937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).