2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one

C14H15N5O3 — CID 100622926

IUPAC2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C14H15N5O3/c20-13-4-2-7-16-19(13)10-14(21)18-8-5-11(9-18)22-12-3-1-6-15-17-12/h1-4,6-7,11H,5,8-10H2/t11-/m1/s1
InChIKeyVYYWHUSEFPQIGC-LLVKDONJSA-N
MW301.31 g/mol
LogP-0.29
Rot. Bonds4

About 2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one

2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one (PubChem CID 100622926) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
PubChem CID100622926
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C14H15N5O3/c20-13-4-2-7-16-19(13)10-14(21)18-8-5-11(9-18)22-12-3-1-6-15-17-12/h1-4,6-7,11H,5,8-10H2/t11-/m1/s1
InChIKeyVYYWHUSEFPQIGC-LLVKDONJSA-N
XLogP-0.29
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
CID 124892826
2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
CID 100620079
4-chloro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)butan-1-one
CID 90638218
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918
2-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121017722
2-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121162619
1-[3-oxo-3-(3-pyridazin-3-yloxypyrrolidin-1-yl)propyl]pyrimidine-2,4-dione
CID 91627186
2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638326
N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638477
2,2,2-trifluoro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 159511918
2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638277

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one (CID 100622926) is 2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one is O=C(Cn1ncccc1=O)N1CC[C@@H](Oc2cccnn2)C1.
What is the InChIKey of 2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is VYYWHUSEFPQIGC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N5O3/c20-13-4-2-7-16-19(13)10-14(21)18-8-5-11(9-18)22-12-3-1-6-15-17-12/h1-4,6-7,11H,5,8-10H2/t11-/m1/s1.
What are the key properties of 2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one?
2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 301.31 g/mol, XLogP of -0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 100622926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).