5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one

C13H22N4O — CID 102819939

IUPAC5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(C[C@@H]2CCCN2)c(=O)c1
InChIInChI=1S/C13H22N4O/c1-3-16(4-2)12-8-13(18)17(15-9-12)10-11-6-5-7-14-11/h8-9,11,14H,3-7,10H2,1-2H3/t11-/m0/s1
InChIKeyQAPKSDPNQXEZOP-NSHDSACASA-N
MW250.35 g/mol
LogP0.84
Rot. Bonds5

About 5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one

5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 102819939) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID102819939
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(C[C@@H]2CCCN2)c(=O)c1
InChIInChI=1S/C13H22N4O/c1-3-16(4-2)12-8-13(18)17(15-9-12)10-11-6-5-7-14-11/h8-9,11,14H,3-7,10H2,1-2H3/t11-/m0/s1
InChIKeyQAPKSDPNQXEZOP-NSHDSACASA-N
XLogP0.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-Ethylpyrrolidin-2-YL)methyl]-1-(1-methyl-6-oxo-16-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202102
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771
2-(Dimethylamino)-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924057
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
CID 110876546
N~1~-[1-(1-Ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide
CID 110876551
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]acetamide
CID 72902728
5-(dimethylamino)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188705
(2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide
CID 97210160
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114393459
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393631
5-Pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397403

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 102819939) is 5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one is CCN(CC)c1cnn(C[C@@H]2CCCN2)c(=O)c1.
What is the InChIKey of 5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is QAPKSDPNQXEZOP-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-16(4-2)12-8-13(18)17(15-9-12)10-11-6-5-7-14-11/h8-9,11,14H,3-7,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 250.35 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 102819939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).