5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one

C16H24N4O2 — CID 56812423

IUPAC5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCN(C3CCCC3)CC2)c1C
InChIInChI=1S/C16H24N4O2/c1-11-12(2)17-18-15(21)14(11)16(22)20-9-7-19(8-10-20)13-5-3-4-6-13/h13H,3-10H2,1-2H3,(H,18,21)
InChIKeyAJQHYIOFMRGENZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.09
Rot. Bonds2

About 5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one

5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one (PubChem CID 56812423) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one
PubChem CID56812423
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCN(C3CCCC3)CC2)c1C
InChIInChI=1S/C16H24N4O2/c1-11-12(2)17-18-15(21)14(11)16(22)20-9-7-19(8-10-20)13-5-3-4-6-13/h13H,3-10H2,1-2H3,(H,18,21)
InChIKeyAJQHYIOFMRGENZ-UHFFFAOYSA-N
XLogP1.09
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one (CID 56812423) is 5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C(=O)N2CCN(C3CCCC3)CC2)c1C.
What is the InChIKey of 5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one?
The InChIKey is AJQHYIOFMRGENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-12(2)17-18-15(21)14(11)16(22)20-9-7-19(8-10-20)13-5-3-4-6-13/h13H,3-10H2,1-2H3,(H,18,21).
What are the key properties of 5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one?
5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one has a molecular weight of 304.39 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopentylpiperazine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 56812423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).