2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one

C16H19N5O2 — CID 121052352

IUPAC2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCN1CCN(C(=O)Cn2nc(-c3cccnc3)ccc2=O)CC1
InChIInChI=1S/C16H19N5O2/c1-19-7-9-20(10-8-19)16(23)12-21-15(22)5-4-14(18-21)13-3-2-6-17-11-13/h2-6,11H,7-10,12H2,1H3
InChIKeyAKGREJFUWJLZFW-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.08
Rot. Bonds3

About 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one

2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 121052352) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID121052352
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCN1CCN(C(=O)Cn2nc(-c3cccnc3)ccc2=O)CC1
InChIInChI=1S/C16H19N5O2/c1-19-7-9-20(10-8-19)16(23)12-21-15(22)5-4-14(18-21)13-3-2-6-17-11-13/h2-6,11H,7-10,12H2,1H3
InChIKeyAKGREJFUWJLZFW-UHFFFAOYSA-N
XLogP0.08
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
CID 121052540
2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
CID 121052354
6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 121050859
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one
CID 52903522
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 121050134
2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 147180179
N-butan-2-yl-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55830035
2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915536
6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7659757
N-benzyl-N-methyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052466

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one (CID 121052352) is 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one is CN1CCN(C(=O)Cn2nc(-c3cccnc3)ccc2=O)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is AKGREJFUWJLZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-19-7-9-20(10-8-19)16(23)12-21-15(22)5-4-14(18-21)13-3-2-6-17-11-13/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one?
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 313.36 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 121052352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).