2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one

C15H23N3O3 — CID 168963474

IUPAC2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one
SMILESO=c1cc(NCC2CCCOC2)cnn1C1CCCCO1
InChIInChI=1S/C15H23N3O3/c19-14-8-13(16-9-12-4-3-6-20-11-12)10-17-18(14)15-5-1-2-7-21-15/h8,10,12,15-16H,1-7,9,11H2
InChIKeyJQWIPCOPOFGVMI-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.78
Rot. Bonds4

About 2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one

2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one (PubChem CID 168963474) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one
PubChem CID168963474
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one
SMILESO=c1cc(NCC2CCCOC2)cnn1C1CCCCO1
InChIInChI=1S/C15H23N3O3/c19-14-8-13(16-9-12-4-3-6-20-11-12)10-17-18(14)15-5-1-2-7-21-15/h8,10,12,15-16H,1-7,9,11H2
InChIKeyJQWIPCOPOFGVMI-UHFFFAOYSA-N
XLogP1.78
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Fluoro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one
CID 168963317
4-methyl-5-[[(3R)-oxan-3-yl]methylamino]-2-piperidin-4-ylpyridazin-3-one
CID 168963861
4-chloro-2-(oxan-2-yl)-5-[[(3R)-oxan-3-yl]methylamino]pyridazin-3-one
CID 168964094
4-chloro-2-[(2R)-oxan-2-yl]-5-[[(3R)-oxan-3-yl]methylamino]pyridazin-3-one
CID 169761944
4-Chloro-2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one
CID 170109330
4-chloro-2-(oxan-2-yl)-5-[[(3S)-oxan-3-yl]methylamino]pyridazin-3-one
CID 170109331
2-[6-oxo-4-(1-piperidinyl)-1(6H)-pyridazinyl]-N-(tetrahydro-2H-pyran-3-ylmethyl)acetamide
CID 45203394
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-(Cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103221933

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one?
The IUPAC name of 2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one (CID 168963474) is 2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one is O=c1cc(NCC2CCCOC2)cnn1C1CCCCO1.
What is the InChIKey of 2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one?
The InChIKey is JQWIPCOPOFGVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c19-14-8-13(16-9-12-4-3-6-20-11-12)10-17-18(14)15-5-1-2-7-21-15/h8,10,12,15-16H,1-7,9,11H2.
What are the key properties of 2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one?
2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one has a molecular weight of 293.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 168963474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).