5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one

C14H24N4O2 — CID 114397448

IUPAC5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one
SMILESCC(NCCn1ncc(N(C)C)cc1=O)C1CCCO1
InChIInChI=1S/C14H24N4O2/c1-11(13-5-4-8-20-13)15-6-7-18-14(19)9-12(10-16-18)17(2)3/h9-11,13,15H,4-8H2,1-3H3
InChIKeyAMDUXSCQCXTUCR-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.47
Rot. Bonds6

About 5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one

5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one (PubChem CID 114397448) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one
PubChem CID114397448
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one
SMILESCC(NCCn1ncc(N(C)C)cc1=O)C1CCCO1
InChIInChI=1S/C14H24N4O2/c1-11(13-5-4-8-20-13)15-6-7-18-14(19)9-12(10-16-18)17(2)3/h9-11,13,15H,4-8H2,1-3H3
InChIKeyAMDUXSCQCXTUCR-UHFFFAOYSA-N
XLogP0.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397471
N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine
CID 55088183
4-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one
CID 55152176
1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione
CID 62927199
5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one
CID 114395499
4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one
CID 79887312
5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one
CID 114397706
5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 45195111
5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one
CID 114395884
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 97277530
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 79183686
2-(2-cyclopropyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
CID 114397069

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one (CID 114397448) is 5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one is CC(NCCn1ncc(N(C)C)cc1=O)C1CCCO1.
What is the InChIKey of 5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one?
The InChIKey is AMDUXSCQCXTUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(13-5-4-8-20-13)15-6-7-18-14(19)9-12(10-16-18)17(2)3/h9-11,13,15H,4-8H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one has a molecular weight of 280.37 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one is sourced from PubChem (CID 114397448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).