5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one

C15H24N4O — CID 77085835

IUPAC5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(CC3CCCC3)CC2)cc1=O
InChIInChI=1S/C15H24N4O/c1-17-15(20)10-14(11-16-17)19-8-6-18(7-9-19)12-13-4-2-3-5-13/h10-11,13H,2-9,12H2,1H3
InChIKeyMHXGUQVNNQBZRH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.09
Rot. Bonds3

About 5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 77085835) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID77085835
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(CC3CCCC3)CC2)cc1=O
InChIInChI=1S/C15H24N4O/c1-17-15(20)10-14(11-16-17)19-8-6-18(7-9-19)12-13-4-2-3-5-13/h10-11,13H,2-9,12H2,1H3
InChIKeyMHXGUQVNNQBZRH-UHFFFAOYSA-N
XLogP1.09
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202142
5-[4-(aminomethyl)-1-piperidinyl]-2-pentyl-3(2H)-pyridazinone trifluoroacetate
CID 28311411
2-{2-[(1S*,4S*)-2-azabicyclo[2.2.1]hept-2-yl]ethyl}-5-(dimethylamino)-3(2H)-pyridazinone
CID 45214548
2-(cyclobutylmethyl)-5-(4-methyl-1-piperazinyl)-3(2H)-pyridazinone
CID 56913098
5-(Dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one
CID 72853311
N-Methyl-2-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-propylacetamide
CID 91917424
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-methyl-N-propylacetamide
CID 91917473
5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819940
5-(4-methylpiperidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819941
5-(3-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819948
5-(3-methylpiperidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819949
5-(2-Aminoethylamino)-2-(cyclopentylmethyl)pyridazin-3-one
CID 103221122

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one (CID 77085835) is 5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCN(CC3CCCC3)CC2)cc1=O.
What is the InChIKey of 5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is MHXGUQVNNQBZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-17-15(20)10-14(11-16-17)19-8-6-18(7-9-19)12-13-4-2-3-5-13/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 276.38 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 77085835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).