2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one

C14H22N4O — CID 56913098

IUPAC2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn(CC3CCC3)c(=O)c2)CC1
InChIInChI=1S/C14H22N4O/c1-16-5-7-17(8-6-16)13-9-14(19)18(15-10-13)11-12-3-2-4-12/h9-10,12H,2-8,11H2,1H3
InChIKeyIFYTXGQPDSELSD-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.80
Rot. Bonds3

About 2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one

2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one (PubChem CID 56913098) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
PubChem CID56913098
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn(CC3CCC3)c(=O)c2)CC1
InChIInChI=1S/C14H22N4O/c1-16-5-7-17(8-6-16)13-9-14(19)18(15-10-13)11-12-3-2-4-12/h9-10,12H,2-8,11H2,1H3
InChIKeyIFYTXGQPDSELSD-UHFFFAOYSA-N
XLogP0.80
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-2-buten-1-yl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29023190
N-butyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202111
5-[4-(4-Butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 53202123
2-Methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one
CID 53202124
N,N-dimethyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202142
5-[4-(4-Methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
CID 53202144
2-Propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202162
N-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202190
5-[4-(4-Ethylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
CID 53202199
N-methyl-1-(6-oxo-1-propyl-1,6-dihydro-4-pyridazinyl)-N-propyl-4-piperidinecarboxamide
CID 53202201
5-{4-[(4-acetylpiperazino)carbonyl]piperidino}-2-propyl-3(2H)-pyridazinone
CID 53202205
5-[4-[4-(2-Methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one
CID 53202206

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one (CID 56913098) is 2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one is CN1CCN(c2cnn(CC3CCC3)c(=O)c2)CC1.
What is the InChIKey of 2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is IFYTXGQPDSELSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-16-5-7-17(8-6-16)13-9-14(19)18(15-10-13)11-12-3-2-4-12/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 262.36 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 56913098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).