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

C13H23N3O2 — CID 103220383

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCOC(C)(C)C)c(=O)c1
InChIInChI=1S/C13H23N3O2/c1-5-6-14-11-9-12(17)16(15-10-11)7-8-18-13(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyPSJDVDWLJFIJTD-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.88
Rot. Bonds6

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

2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(propylamino)pyridazin-3-one (PubChem CID 103220383) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(propylamino)pyridazin-3-one
PubChem CID103220383
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCOC(C)(C)C)c(=O)c1
InChIInChI=1S/C13H23N3O2/c1-5-6-14-11-9-12(17)16(15-10-11)7-8-18-13(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyPSJDVDWLJFIJTD-UHFFFAOYSA-N
XLogP1.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(propylamino)pyridazin-3-one (CID 103220383) is 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(propylamino)pyridazin-3-one is CCCNc1cnn(CCOC(C)(C)C)c(=O)c1.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(propylamino)pyridazin-3-one?
The InChIKey is PSJDVDWLJFIJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-6-14-11-9-12(17)16(15-10-11)7-8-18-13(2,3)4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(propylamino)pyridazin-3-one?
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(propylamino)pyridazin-3-one has a molecular weight of 253.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).