6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one

C16H20N4O4 — CID 97038837

IUPAC6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(C[C@H](O)c3ccco3)CC2)ccc1=O
InChIInChI=1S/C16H20N4O4/c1-18-15(22)5-4-12(17-18)16(23)20-8-6-19(7-9-20)11-13(21)14-3-2-10-24-14/h2-5,10,13,21H,6-9,11H2,1H3/t13-/m0/s1
InChIKeyXDWWQYLUZXOEIJ-ZDUSSCGKSA-N
MW332.36 g/mol
LogP-0.14
Rot. Bonds4

About 6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one

6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 97038837) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID97038837
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCN(C[C@H](O)c3ccco3)CC2)ccc1=O
InChIInChI=1S/C16H20N4O4/c1-18-15(22)5-4-12(17-18)16(23)20-8-6-19(7-9-20)11-13(21)14-3-2-10-24-14/h2-5,10,13,21H,6-9,11H2,1H3/t13-/m0/s1
InChIKeyXDWWQYLUZXOEIJ-ZDUSSCGKSA-N
XLogP-0.14
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one with MolForge

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Related Compounds

[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
CID 71783165
2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 47162984
N-ethyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783458
[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 71783190
(E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97038867
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
1,3-benzodioxol-5-yl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone
CID 71783185
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51162639
cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride
CID 71783234
1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride
CID 91939147
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783448

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one (CID 97038837) is 6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCN(C[C@H](O)c3ccco3)CC2)ccc1=O.
What is the InChIKey of 6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is XDWWQYLUZXOEIJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-18-15(22)5-4-12(17-18)16(23)20-8-6-19(7-9-20)11-13(21)14-3-2-10-24-14/h2-5,10,13,21H,6-9,11H2,1H3/t13-/m0/s1.
What are the key properties of 6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one?
6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 332.36 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 97038837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).