3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one

C14H20N4O3 — CID 110800607

IUPAC3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESCCCCC(=O)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C14H20N4O3/c1-2-3-4-13(20)17-7-9-18(10-8-17)14(21)11-5-6-12(19)16-15-11/h5-6H,2-4,7-10H2,1H3,(H,16,19)
InChIKeyYJTCPBGEKRFKIT-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.24
Rot. Bonds4

About 3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one

3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 110800607) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID110800607
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESCCCCC(=O)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C14H20N4O3/c1-2-3-4-13(20)17-7-9-18(10-8-17)14(21)11-5-6-12(19)16-15-11/h5-6H,2-4,7-10H2,1H3,(H,16,19)
InChIKeyYJTCPBGEKRFKIT-UHFFFAOYSA-N
XLogP0.24
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-phenoxybutanoyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 108546999
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propylpiperazine-1-carboxamide
CID 110812162
3-[4-[4-(2-chlorophenoxy)butanoyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108536272
3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110804798
3-[4-(3-phenylpropanoyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 110808340
3-(4-propylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 103720325
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 30831093
ethyl 4-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808932
3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 113229540
3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110803019
3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110814648
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812163

Frequently Asked Questions

What is the IUPAC name of 3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one (CID 110800607) is 3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one is CCCCC(=O)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is YJTCPBGEKRFKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-3-4-13(20)17-7-9-18(10-8-17)14(21)11-5-6-12(19)16-15-11/h5-6H,2-4,7-10H2,1H3,(H,16,19).
What are the key properties of 3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 292.34 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 110800607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).