5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one

C18H22N4O2 — CID 155536492

IUPAC5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
SMILESCCc1c(N2CCN(Cc3ccccc3C)C(=O)C2)cn[nH]c1=O
InChIInChI=1S/C18H22N4O2/c1-3-15-16(10-19-20-18(15)24)21-8-9-22(17(23)12-21)11-14-7-5-4-6-13(14)2/h4-7,10H,3,8-9,11-12H2,1-2H3,(H,20,24)
InChIKeyNAORZVNLFXHGMH-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.49
Rot. Bonds4

About 5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one

5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 155536492) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
PubChem CID155536492
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
SMILESCCc1c(N2CCN(Cc3ccccc3C)C(=O)C2)cn[nH]c1=O
InChIInChI=1S/C18H22N4O2/c1-3-15-16(10-19-20-18(15)24)21-8-9-22(17(23)12-21)11-14-7-5-4-6-13(14)2/h4-7,10H,3,8-9,11-12H2,1-2H3,(H,20,24)
InChIKeyNAORZVNLFXHGMH-UHFFFAOYSA-N
XLogP1.49
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one (CID 155536492) is 5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one is CCc1c(N2CCN(Cc3ccccc3C)C(=O)C2)cn[nH]c1=O.
What is the InChIKey of 5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is NAORZVNLFXHGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-15-16(10-19-20-18(15)24)21-8-9-22(17(23)12-21)11-14-7-5-4-6-13(14)2/h4-7,10H,3,8-9,11-12H2,1-2H3,(H,20,24).
What are the key properties of 5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 326.40 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 155536492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).