2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one

C18H22N4O4 — CID 32530099

IUPAC2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)ccc1=O
InChIInChI=1S/C18H22N4O4/c1-2-3-7-22-16(23)5-4-15(19-22)18(25)21-10-8-20(9-11-21)17(24)14-6-12-26-13-14/h4-6,12-13H,2-3,7-11H2,1H3
InChIKeyLIPLEMPJVODECC-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.23
Rot. Bonds5

About 2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one

2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 32530099) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
PubChem CID32530099
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)ccc1=O
InChIInChI=1S/C18H22N4O4/c1-2-3-7-22-16(23)5-4-15(19-22)18(25)21-10-8-20(9-11-21)17(24)14-6-12-26-13-14/h4-6,12-13H,2-3,7-11H2,1H3
InChIKeyLIPLEMPJVODECC-UHFFFAOYSA-N
XLogP1.23
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
CID 42161962
2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 71852925
2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one
CID 38068227
2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one
CID 51327458
2-butyl-6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one
CID 55360861
2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 79030504
2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64604161
6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
CID 55879910
6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 47067765
1-nonyl-6-oxopyridazine-3-carboxylic acid
CID 114695797
1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one
CID 134022004
6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
CID 63106592

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one (CID 32530099) is 2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one is CCCCn1nc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)ccc1=O.
What is the InChIKey of 2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is LIPLEMPJVODECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-2-3-7-22-16(23)5-4-15(19-22)18(25)21-10-8-20(9-11-21)17(24)14-6-12-26-13-14/h4-6,12-13H,2-3,7-11H2,1H3.
What are the key properties of 2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one?
2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 358.40 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 32530099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).