5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one

C13H22N4O2 — CID 103223683

IUPAC5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCNCCNc1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C13H22N4O2/c1-14-4-5-15-12-8-13(18)17(16-9-12)10-11-2-6-19-7-3-11/h8-9,11,14-15H,2-7,10H2,1H3
InChIKeyZQKGJXGZJHTUCP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.30
Rot. Bonds6

About 5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one

5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one (PubChem CID 103223683) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one
PubChem CID103223683
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCNCCNc1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C13H22N4O2/c1-14-4-5-15-12-8-13(18)17(16-9-12)10-11-2-6-19-7-3-11/h8-9,11,14-15H,2-7,10H2,1H3
InChIKeyZQKGJXGZJHTUCP-UHFFFAOYSA-N
XLogP0.30
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202092
5-(4-methyl-1-piperazinyl)-2-[2-(tetrahydro-3-furanyl)ethyl]-3(2H)-pyridazinone
CID 56900707
5-(4-methylpiperazin-1-yl)-2-[2-[(3R)-oxolan-3-yl]ethyl]pyridazin-3-one
CID 95713834
5-(4-methylpiperazin-1-yl)-2-[2-[(3S)-oxolan-3-yl]ethyl]pyridazin-3-one
CID 95713836
5-Amino-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103218363
5-(Methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103218678
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide
CID 103218745
5-(Ethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103219120
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(oxan-4-yl)acetamide
CID 103219183
N-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
CID 103219567

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one (CID 103223683) is 5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one is CNCCNc1cnn(CC2CCOCC2)c(=O)c1.
What is the InChIKey of 5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one?
The InChIKey is ZQKGJXGZJHTUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-14-4-5-15-12-8-13(18)17(16-9-12)10-11-2-6-19-7-3-11/h8-9,11,14-15H,2-7,10H2,1H3.
What are the key properties of 5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one?
5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one has a molecular weight of 266.34 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethylamino]-2-(oxan-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103223683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).