2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one

C13H24N4O2 — CID 105062152

IUPAC2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one
SMILESCCN(CC)CCNCCn1nc(OC)ccc1=O
InChIInChI=1S/C13H24N4O2/c1-4-16(5-2)10-8-14-9-11-17-13(18)7-6-12(15-17)19-3/h6-7,14H,4-5,8-11H2,1-3H3
InChIKeyMTYWFGCNEMNCEL-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.18
Rot. Bonds9

About 2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one

2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one (PubChem CID 105062152) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one
PubChem CID105062152
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one
SMILESCCN(CC)CCNCCn1nc(OC)ccc1=O
InChIInChI=1S/C13H24N4O2/c1-4-16(5-2)10-8-14-9-11-17-13(18)7-6-12(15-17)19-3/h6-7,14H,4-5,8-11H2,1-3H3
InChIKeyMTYWFGCNEMNCEL-UHFFFAOYSA-N
XLogP0.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one
CID 105061442
6-Methoxy-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 113675831
Trimethyl-[2-[6-oxo-3-[2-(trimethylazaniumyl)ethoxy]pyridazin-1-yl]ethyl]azanium
CID 3380577
2-[2-[2-(Dimethylamino)ethylamino]ethyl]pyridazin-3-one
CID 62848921
2-[2-[2-(Diethylamino)ethylamino]ethyl]pyridazin-3-one
CID 62849090
2-[2-(Ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073141
2-(1-Amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one
CID 105061447
2-(2-Aminoethyl)-6-methoxypyridazin-3-one
CID 105061489
2-(4-Aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-(3-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061504
2-(3-Amino-2-methylpropyl)-6-methoxypyridazin-3-one
CID 105061509
2-(5-Aminopentyl)-6-methoxypyridazin-3-one
CID 105061512

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one (CID 105062152) is 2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one is CCN(CC)CCNCCn1nc(OC)ccc1=O.
What is the InChIKey of 2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one?
The InChIKey is MTYWFGCNEMNCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-16(5-2)10-8-14-9-11-17-13(18)7-6-12(15-17)19-3/h6-7,14H,4-5,8-11H2,1-3H3.
What are the key properties of 2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one?
2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one has a molecular weight of 268.36 g/mol, XLogP of 0.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(diethylamino)ethylamino]ethyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105062152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).