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

C13H21N3O2 — CID 103220295

IUPAC2-(oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-2-5-14-12-8-13(17)16(15-9-12)10-11-3-6-18-7-4-11/h8-9,11,14H,2-7,10H2,1H3
InChIKeyDPDZWGKIOALXBK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.49
Rot. Bonds5

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

2-(oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one (PubChem CID 103220295) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one
PubChem CID103220295
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-2-5-14-12-8-13(17)16(15-9-12)10-11-3-6-18-7-4-11/h8-9,11,14H,2-7,10H2,1H3
InChIKeyDPDZWGKIOALXBK-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
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 2-(oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-(oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one (CID 103220295) is 2-(oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-(oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-(oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one is CCCNc1cnn(CC2CCOCC2)c(=O)c1.
What is the InChIKey of 2-(oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one?
The InChIKey is DPDZWGKIOALXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-5-14-12-8-13(17)16(15-9-12)10-11-3-6-18-7-4-11/h8-9,11,14H,2-7,10H2,1H3.
What are the key properties of 2-(oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one?
2-(oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one has a molecular weight of 251.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).