3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one

C13H20N4O2 — CID 119400997

IUPAC3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(C(=O)N2CCNCC2)c1CC
InChIInChI=1S/C13H20N4O2/c1-3-9-10(4-2)15-16-12(18)11(9)13(19)17-7-5-14-6-8-17/h14H,3-8H2,1-2H3,(H,16,18)
InChIKeyRFATVLKWEGVMLY-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.06
Rot. Bonds3

About 3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one

3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 119400997) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID119400997
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(C(=O)N2CCNCC2)c1CC
InChIInChI=1S/C13H20N4O2/c1-3-9-10(4-2)15-16-12(18)11(9)13(19)17-7-5-14-6-8-17/h14H,3-8H2,1-2H3,(H,16,18)
InChIKeyRFATVLKWEGVMLY-UHFFFAOYSA-N
XLogP-0.06
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one (CID 119400997) is 3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one is CCc1n[nH]c(=O)c(C(=O)N2CCNCC2)c1CC.
What is the InChIKey of 3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is RFATVLKWEGVMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-9-10(4-2)15-16-12(18)11(9)13(19)17-7-5-14-6-8-17/h14H,3-8H2,1-2H3,(H,16,18).
What are the key properties of 3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one?
3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 264.33 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-5-(piperazine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 119400997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).