5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one

C11H17N3O2 — CID 103218686

IUPAC5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
SMILESCNc1cnn(CCC2CCCO2)c(=O)c1
InChIInChI=1S/C11H17N3O2/c1-12-9-7-11(15)14(13-8-9)5-4-10-3-2-6-16-10/h7-8,10,12H,2-6H2,1H3
InChIKeySDAOKSDYQMGMQR-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.85
Rot. Bonds4

About 5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one

5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one (PubChem CID 103218686) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
PubChem CID103218686
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one
SMILESCNc1cnn(CCC2CCCO2)c(=O)c1
InChIInChI=1S/C11H17N3O2/c1-12-9-7-11(15)14(13-8-9)5-4-10-3-2-6-16-10/h7-8,10,12H,2-6H2,1H3
InChIKeySDAOKSDYQMGMQR-UHFFFAOYSA-N
XLogP0.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one (CID 103218686) is 5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one is CNc1cnn(CCC2CCCO2)c(=O)c1.
What is the InChIKey of 5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
The InChIKey is SDAOKSDYQMGMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-12-9-7-11(15)14(13-8-9)5-4-10-3-2-6-16-10/h7-8,10,12H,2-6H2,1H3.
What are the key properties of 5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one?
5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-[2-(oxolan-2-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 103218686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).