2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C11H19N3O3 — CID 104920970

IUPAC2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(C[C@H](C)O)c(=O)c1
InChIInChI=1S/C11H19N3O3/c1-9(15)8-14-11(16)6-10(7-12-14)13(2)4-5-17-3/h6-7,9,15H,4-5,8H2,1-3H3/t9-/m0/s1
InChIKeyVNKSPYWYCMRHFT-VIFPVBQESA-N
MW241.29 g/mol
LogP-0.29
Rot. Bonds6

About 2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 104920970) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID104920970
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(C[C@H](C)O)c(=O)c1
InChIInChI=1S/C11H19N3O3/c1-9(15)8-14-11(16)6-10(7-12-14)13(2)4-5-17-3/h6-7,9,15H,4-5,8H2,1-3H3/t9-/m0/s1
InChIKeyVNKSPYWYCMRHFT-VIFPVBQESA-N
XLogP-0.29
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 104920970) is 2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is COCCN(C)c1cnn(C[C@H](C)O)c(=O)c1.
What is the InChIKey of 2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is VNKSPYWYCMRHFT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O3/c1-9(15)8-14-11(16)6-10(7-12-14)13(2)4-5-17-3/h6-7,9,15H,4-5,8H2,1-3H3/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 241.29 g/mol, XLogP of -0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 104920970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).