5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one

C10H15N3O2 — CID 103218578

IUPAC5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one
SMILESCNc1cnn(CC2CCCO2)c(=O)c1
InChIInChI=1S/C10H15N3O2/c1-11-8-5-10(14)13(12-6-8)7-9-3-2-4-15-9/h5-6,9,11H,2-4,7H2,1H3
InChIKeyJZEAQDQXMZHWSK-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.46
Rot. Bonds3

About 5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one

5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one (PubChem CID 103218578) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one
PubChem CID103218578
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one
SMILESCNc1cnn(CC2CCCO2)c(=O)c1
InChIInChI=1S/C10H15N3O2/c1-11-8-5-10(14)13(12-6-8)7-9-3-2-4-15-9/h5-6,9,11H,2-4,7H2,1H3
InChIKeyJZEAQDQXMZHWSK-UHFFFAOYSA-N
XLogP0.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one (CID 103218578) is 5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one is CNc1cnn(CC2CCCO2)c(=O)c1.
What is the InChIKey of 5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one?
The InChIKey is JZEAQDQXMZHWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-11-8-5-10(14)13(12-6-8)7-9-3-2-4-15-9/h5-6,9,11H,2-4,7H2,1H3.
What are the key properties of 5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one?
5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one has a molecular weight of 209.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103218578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).