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

C18H22N4O4 — CID 42161962

IUPAC2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1=O
InChIInChI=1S/C18H22N4O4/c1-2-3-8-22-16(23)7-6-14(19-22)17(24)20-9-11-21(12-10-20)18(25)15-5-4-13-26-15/h4-7,13H,2-3,8-12H2,1H3
InChIKeyNQUHMPWKPREJTI-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.23
Rot. Bonds5

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

2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 42161962) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
PubChem CID42161962
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1=O
InChIInChI=1S/C18H22N4O4/c1-2-3-8-22-16(23)7-6-14(19-22)17(24)20-9-11-21(12-10-20)18(25)15-5-4-13-26-15/h4-7,13H,2-3,8-12H2,1H3
InChIKeyNQUHMPWKPREJTI-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-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
CID 32530099
2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one
CID 17428260
[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110681725
2-butyl-6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one
CID 55360861
2-butylsulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 78761813
2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64604161
6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 47067765
2-butyl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyridazin-3-one
CID 55337886
1-nonyl-6-oxopyridazine-3-carboxylic acid
CID 114695797
[2-(diethylamino)pyrimidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109310510
N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079244
[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 844559

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one (CID 42161962) is 2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one is CCCCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1=O.
What is the InChIKey of 2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is NQUHMPWKPREJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-2-3-8-22-16(23)7-6-14(19-22)17(24)20-9-11-21(12-10-20)18(25)15-5-4-13-26-15/h4-7,13H,2-3,8-12H2,1H3.
What are the key properties of 2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one?
2-butyl-6-[4-(furan-2-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-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 42161962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).