5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one

C13H22N4O2 — CID 102819937

IUPAC5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCOCCN(C)c1cnn(C[C@H]2CCCN2)c(=O)c1
InChIInChI=1S/C13H22N4O2/c1-16(6-7-19-2)12-8-13(18)17(15-9-12)10-11-4-3-5-14-11/h8-9,11,14H,3-7,10H2,1-2H3/t11-/m1/s1
InChIKeyPSMMDKKLLHPGTK-LLVKDONJSA-N
MW266.34 g/mol
LogP0.08
Rot. Bonds6

About 5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one

5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 102819937) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID102819937
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCOCCN(C)c1cnn(C[C@H]2CCCN2)c(=O)c1
InChIInChI=1S/C13H22N4O2/c1-16(6-7-19-2)12-8-13(18)17(15-9-12)10-11-4-3-5-14-11/h8-9,11,14H,3-7,10H2,1-2H3/t11-/m1/s1
InChIKeyPSMMDKKLLHPGTK-LLVKDONJSA-N
XLogP0.08
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 102819937) is 5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one is COCCN(C)c1cnn(C[C@H]2CCCN2)c(=O)c1.
What is the InChIKey of 5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is PSMMDKKLLHPGTK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16(6-7-19-2)12-8-13(18)17(15-9-12)10-11-4-3-5-14-11/h8-9,11,14H,3-7,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 266.34 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(methyl)amino]-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 102819937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).