2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one

C16H25N5O3 — CID 72878261

IUPAC2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one
SMILESC[C@@H]1CN(C(=O)Cn2ncc(N3CCNCC3)cc2=O)C[C@H](C)O1
InChIInChI=1S/C16H25N5O3/c1-12-9-20(10-13(2)24-12)16(23)11-21-15(22)7-14(8-18-21)19-5-3-17-4-6-19/h7-8,12-13,17H,3-6,9-11H2,1-2H3/t12-,13+
InChIKeySEFHIRZPPAFIPL-BETUJISGSA-N
MW335.41 g/mol
LogP-0.71
Rot. Bonds3

About 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one

2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one (PubChem CID 72878261) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one
PubChem CID72878261
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one
SMILESC[C@@H]1CN(C(=O)Cn2ncc(N3CCNCC3)cc2=O)C[C@H](C)O1
InChIInChI=1S/C16H25N5O3/c1-12-9-20(10-13(2)24-12)16(23)11-21-15(22)7-14(8-18-21)19-5-3-17-4-6-19/h7-8,12-13,17H,3-6,9-11H2,1-2H3/t12-,13+
InChIKeySEFHIRZPPAFIPL-BETUJISGSA-N
XLogP-0.71
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one (CID 72878261) is 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one is C[C@@H]1CN(C(=O)Cn2ncc(N3CCNCC3)cc2=O)C[C@H](C)O1.
What is the InChIKey of 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one?
The InChIKey is SEFHIRZPPAFIPL-BETUJISGSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-12-9-20(10-13(2)24-12)16(23)11-21-15(22)7-14(8-18-21)19-5-3-17-4-6-19/h7-8,12-13,17H,3-6,9-11H2,1-2H3/t12-,13+.
What are the key properties of 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one?
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one has a molecular weight of 335.41 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 72878261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).