5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one

C17H27N5O3 — CID 45195111

IUPAC5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)N2CCN(CC3CCCO3)CC2)c(=O)c1
InChIInChI=1S/C17H27N5O3/c1-19(2)14-10-16(23)22(18-11-14)13-17(24)21-7-5-20(6-8-21)12-15-4-3-9-25-15/h10-11,15H,3-9,12-13H2,1-2H3
InChIKeyLPJNFYMDFOEKMT-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.37
Rot. Bonds5

About 5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one

5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 45195111) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID45195111
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)N2CCN(CC3CCCO3)CC2)c(=O)c1
InChIInChI=1S/C17H27N5O3/c1-19(2)14-10-16(23)22(18-11-14)13-17(24)21-7-5-20(6-8-21)12-15-4-3-9-25-15/h10-11,15H,3-9,12-13H2,1-2H3
InChIKeyLPJNFYMDFOEKMT-UHFFFAOYSA-N
XLogP-0.37
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 97277530
5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one
CID 114395499
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
5-[2-aminoethyl(methyl)amino]-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 103223399
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869583
2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 94794263
3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 42907612
4-oxo-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanoic acid
CID 60662642
3-oxo-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanenitrile
CID 129498331
(5-hydroxy-3-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 63858865
N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104298

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 45195111) is 5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one is CN(C)c1cnn(CC(=O)N2CCN(CC3CCCO3)CC2)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is LPJNFYMDFOEKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-19(2)14-10-16(23)22(18-11-14)13-17(24)21-7-5-20(6-8-21)12-15-4-3-9-25-15/h10-11,15H,3-9,12-13H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 349.44 g/mol, XLogP of -0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 45195111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).