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

C13H21N3O2 — CID 103220303

IUPAC2-[2-(oxolan-2-yl)ethyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCC2CCCO2)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-2-6-14-11-9-13(17)16(15-10-11)7-5-12-4-3-8-18-12/h9-10,12,14H,2-8H2,1H3
InChIKeyIFFXYBMDBVDRQC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.63
Rot. Bonds6

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

2-[2-(oxolan-2-yl)ethyl]-5-(propylamino)pyridazin-3-one (PubChem CID 103220303) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)ethyl]-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)ethyl]-5-(propylamino)pyridazin-3-one
PubChem CID103220303
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[2-(oxolan-2-yl)ethyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCC2CCCO2)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-2-6-14-11-9-13(17)16(15-10-11)7-5-12-4-3-8-18-12/h9-10,12,14H,2-8H2,1H3
InChIKeyIFFXYBMDBVDRQC-UHFFFAOYSA-N
XLogP1.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)ethyl]-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(oxolan-2-yl)ethyl]-5-(propylamino)pyridazin-3-one (CID 103220303) is 2-[2-(oxolan-2-yl)ethyl]-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(oxolan-2-yl)ethyl]-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(oxolan-2-yl)ethyl]-5-(propylamino)pyridazin-3-one is CCCNc1cnn(CCC2CCCO2)c(=O)c1.
What is the InChIKey of 2-[2-(oxolan-2-yl)ethyl]-5-(propylamino)pyridazin-3-one?
The InChIKey is IFFXYBMDBVDRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-6-14-11-9-13(17)16(15-10-11)7-5-12-4-3-8-18-12/h9-10,12,14H,2-8H2,1H3.
What are the key properties of 2-[2-(oxolan-2-yl)ethyl]-5-(propylamino)pyridazin-3-one?
2-[2-(oxolan-2-yl)ethyl]-5-(propylamino)pyridazin-3-one has a molecular weight of 251.33 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)ethyl]-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).