2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one

C12H19N3O3 — CID 56889724

IUPAC2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1C[C@H](O)CO
InChIInChI=1S/C12H19N3O3/c16-9-11(17)8-15-12(18)6-10(7-13-15)14-4-2-1-3-5-14/h6-7,11,16-17H,1-5,8-9H2/t11-/m0/s1
InChIKeyMYSOSNNANBZJAH-NSHDSACASA-N
MW253.30 g/mol
LogP-0.41
Rot. Bonds4

About 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one

2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 56889724) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID56889724
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1C[C@H](O)CO
InChIInChI=1S/C12H19N3O3/c16-9-11(17)8-15-12(18)6-10(7-13-15)14-4-2-1-3-5-14/h6-7,11,16-17H,1-5,8-9H2/t11-/m0/s1
InChIKeyMYSOSNNANBZJAH-NSHDSACASA-N
XLogP-0.41
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one (CID 56889724) is 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one is O=c1cc(N2CCCCC2)cnn1C[C@H](O)CO.
What is the InChIKey of 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is MYSOSNNANBZJAH-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O3/c16-9-11(17)8-15-12(18)6-10(7-13-15)14-4-2-1-3-5-14/h6-7,11,16-17H,1-5,8-9H2/t11-/m0/s1.
What are the key properties of 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one?
2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 253.30 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 56889724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).