2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one

C16H23N5O3 — CID 72917197

IUPAC2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one
SMILESCC1CCC(=O)N1CC(=O)N1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C16H23N5O3/c1-12-3-4-14(22)21(12)11-16(24)20-7-5-19(6-8-20)13-9-15(23)18(2)17-10-13/h9-10,12H,3-8,11H2,1-2H3
InChIKeyISMIFZRMCUDVTE-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.56
Rot. Bonds3

About 2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one

2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 72917197) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one
PubChem CID72917197
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one
SMILESCC1CCC(=O)N1CC(=O)N1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C16H23N5O3/c1-12-3-4-14(22)21(12)11-16(24)20-7-5-19(6-8-20)13-9-15(23)18(2)17-10-13/h9-10,12H,3-8,11H2,1-2H3
InChIKeyISMIFZRMCUDVTE-UHFFFAOYSA-N
XLogP-0.56
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one with MolForge

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Related Compounds

1-isopropyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-L-prolinamide
CID 70780050
N-[(1-Ethylpyrrolidin-2-YL)methyl]-1-(1-methyl-6-oxo-16-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202102
2-propyl-5-[4-(pyrrolidin-1-ylcarbonyl)piperidin-1-yl]pyridazin-3(2H)-one
CID 53202211
2-[2-(2-butyl-4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3(2H)-one
CID 72838958
2-(cyclopropylmethyl)-5-{3-[(4-isopropylpiperazino)carbonyl]-1-pyrrolidinyl}-3(2H)-pyridazinone
CID 91920244
2-Methyl-5-[3-(piperidine-1-carbonyl)pyrrolidin-1-YL]-2,3-dihydropyridazin-3-one
CID 110196821
5-(dimethylamino)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188705
2-(2,2-Difluoroethyl)-5-{4-[2-oxo-1-(propan-2-yl)pyrrolidin-3-yl]piperazin-1-yl}-2,3-dihydropyridazin-3-one
CID 172901162
5-(4-methyl-1-piperazinyl)-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-3(2H)-pyridazinone
CID 28357548
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202180
2-(6-Oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide
CID 56885798
2-[3-oxo-3-(1-pyrrolidinyl)propyl]-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 56908273

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one (CID 72917197) is 2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one is CC1CCC(=O)N1CC(=O)N1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is ISMIFZRMCUDVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-12-3-4-14(22)21(12)11-16(24)20-7-5-19(6-8-20)13-9-15(23)18(2)17-10-13/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one?
2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 333.39 g/mol, XLogP of -0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[2-(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 72917197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).