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

C13H21N3O3 — CID 103223048

IUPAC5-(2-aminopropoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCC(N)COc1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C13H21N3O3/c1-10(14)9-19-12-6-13(17)16(15-7-12)8-11-2-4-18-5-3-11/h6-7,10-11H,2-5,8-9,14H2,1H3
InChIKeyRPISVRKMYOGJAL-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.40
Rot. Bonds5

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

5-(2-aminopropoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one (PubChem CID 103223048) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one
PubChem CID103223048
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-(2-aminopropoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCC(N)COc1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C13H21N3O3/c1-10(14)9-19-12-6-13(17)16(15-7-12)8-11-2-4-18-5-3-11/h6-7,10-11H,2-5,8-9,14H2,1H3
InChIKeyRPISVRKMYOGJAL-UHFFFAOYSA-N
XLogP0.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-(tetrahydro-2H-pyran-3-yl)pyridazin-3(2H)-one
CID 71303775
5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one
CID 86335303
5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one
CID 86335304
5-(Methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103218678
5-(Ethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103219120
2-(Oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one
CID 103220295
5-(2-Methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103221648
5-(2-Aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one
CID 103222646
5-(2-Aminoethoxy)-2-(cyclohexylmethyl)pyridazin-3-one
CID 103222650
5-(2-Aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one
CID 103222678
5-(2-Aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one
CID 103222694
5-(2-Aminoethoxy)-2-(3-methylbutyl)pyridazin-3-one
CID 103222719

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminopropoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one (CID 103223048) is 5-(2-aminopropoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminopropoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminopropoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one is CC(N)COc1cnn(CC2CCOCC2)c(=O)c1.
What is the InChIKey of 5-(2-aminopropoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The InChIKey is RPISVRKMYOGJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10(14)9-19-12-6-13(17)16(15-7-12)8-11-2-4-18-5-3-11/h6-7,10-11H,2-5,8-9,14H2,1H3.
What are the key properties of 5-(2-aminopropoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one?
5-(2-aminopropoxy)-2-(oxan-4-ylmethyl)pyridazin-3-one has a molecular weight of 267.33 g/mol, XLogP of 0.40, 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-(oxan-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103223048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).