2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one

C13H21N3O2 — CID 103220169

IUPAC2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CC2CCC(C)O2)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-3-6-14-11-7-13(17)16(15-8-11)9-12-5-4-10(2)18-12/h7-8,10,12,14H,3-6,9H2,1-2H3
InChIKeyKWFJXHRJQNRNLE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.63
Rot. Bonds5

About 2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one

2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one (PubChem CID 103220169) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one
PubChem CID103220169
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CC2CCC(C)O2)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-3-6-14-11-7-13(17)16(15-8-11)9-12-5-4-10(2)18-12/h7-8,10,12,14H,3-6,9H2,1-2H3
InChIKeyKWFJXHRJQNRNLE-UHFFFAOYSA-N
XLogP1.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

4-Chloro-2-methyl-5-(oxolan-2-ylmethylamino)pyridazin-3-one
CID 45806296
5-morpholin-4-yl-2-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-one
CID 97208340
5-(4-methyl-1-piperazinyl)-2-(tetrahydro-2-furanylmethyl)-3(2H)-pyridazinone
CID 45932616
2-[2-(Oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 62848753
2-[2-[1-(Oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one
CID 62850516
5-piperidin-1-yl-2-(tetrahydrofuran-2-ylmethyl)pyridazin-3(2H)-one
CID 72857552
5-piperazin-1-yl-2-(tetrahydrofuran-2-ylmethyl)pyridazin-3(2H)-one
CID 72865171
2-(6-oxo-4-piperidin-1-ylpyridazin-1(6H)-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 72881282
5-pyrrolidin-1-yl-2-(tetrahydrofuran-2-ylmethyl)pyridazin-3(2H)-one
CID 72924233
5-morpholin-4-yl-2-(tetrahydrofuran-2-ylmethyl)pyridazin-3(2H)-one
CID 72930604
2-[4-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperazin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 91831331
4-chloro-2-methyl-5-[[(2S)-oxolan-2-yl]methylamino]pyridazin-3-one
CID 93609171

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one (CID 103220169) is 2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one is CCCNc1cnn(CC2CCC(C)O2)c(=O)c1.
What is the InChIKey of 2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one?
The InChIKey is KWFJXHRJQNRNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-6-14-11-7-13(17)16(15-8-11)9-12-5-4-10(2)18-12/h7-8,10,12,14H,3-6,9H2,1-2H3.
What are the key properties of 2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one?
2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one has a molecular weight of 251.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyloxolan-2-yl)methyl]-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).