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

C14H23N3O2 — CID 103221648

IUPAC5-(2-methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCC(C)CNc1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C14H23N3O2/c1-11(2)8-15-13-7-14(18)17(16-9-13)10-12-3-5-19-6-4-12/h7,9,11-12,15H,3-6,8,10H2,1-2H3
InChIKeyFXJUXAJSSQBSLZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.74
Rot. Bonds5

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

5-(2-methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one (PubChem CID 103221648) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(2-methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
PubChem CID103221648
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-(2-methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCC(C)CNc1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C14H23N3O2/c1-11(2)8-15-13-7-14(18)17(16-9-13)10-12-3-5-19-6-4-12/h7,9,11-12,15H,3-6,8,10H2,1-2H3
InChIKeyFXJUXAJSSQBSLZ-UHFFFAOYSA-N
XLogP1.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxypropyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide
CID 53202164
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide
CID 91924033
2-(Oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one
CID 168963474
N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202092
5-Amino-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103218363
2-(4-Methoxybutyl)-5-(methylamino)pyridazin-3-one
CID 103218482
2-(2-Ethylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218589
5-(Methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103218678
5-(Ethylamino)-2-(4-methoxybutyl)pyridazin-3-one
CID 103218879
5-(Ethylamino)-2-(2-ethylbutyl)pyridazin-3-one
CID 103219028
5-(Ethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103219120
5-(Ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
CID 103219174

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(2-methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one (CID 103221648) is 5-(2-methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one is CC(C)CNc1cnn(CC2CCOCC2)c(=O)c1.
What is the InChIKey of 5-(2-methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The InChIKey is FXJUXAJSSQBSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)8-15-13-7-14(18)17(16-9-13)10-12-3-5-19-6-4-12/h7,9,11-12,15H,3-6,8,10H2,1-2H3.
What are the key properties of 5-(2-methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
5-(2-methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one has a molecular weight of 265.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103221648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).