3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one

C15H22N6O — CID 126930486

IUPAC3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESCn1ccnc1CNCC1CCCCN1c1ccc(=O)[nH]n1
InChIInChI=1S/C15H22N6O/c1-20-9-7-17-14(20)11-16-10-12-4-2-3-8-21(12)13-5-6-15(22)19-18-13/h5-7,9,12,16H,2-4,8,10-11H2,1H3,(H,19,22)
InChIKeyGNDZRBPUCFZQLO-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.65
Rot. Bonds5

About 3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one

3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 126930486) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID126930486
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESCn1ccnc1CNCC1CCCCN1c1ccc(=O)[nH]n1
InChIInChI=1S/C15H22N6O/c1-20-9-7-17-14(20)11-16-10-12-4-2-3-8-21(12)13-5-6-15(22)19-18-13/h5-7,9,12,16H,2-4,8,10-11H2,1H3,(H,19,22)
InChIKeyGNDZRBPUCFZQLO-UHFFFAOYSA-N
XLogP0.65
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[[(1-hydroxycyclopentyl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930538
3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930427
3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126930570
3-[2-[[(6-cyclopropylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930428
3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930439
3-[2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930411
3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 126930391
3-[2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930534
3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one
CID 126930558
3-[2-[[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930523
N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide
CID 126930345
6-[2-(propylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281496

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one (CID 126930486) is 3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one is Cn1ccnc1CNCC1CCCCN1c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is GNDZRBPUCFZQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-20-9-7-17-14(20)11-16-10-12-4-2-3-8-21(12)13-5-6-15(22)19-18-13/h5-7,9,12,16H,2-4,8,10-11H2,1H3,(H,19,22).
What are the key properties of 3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one?
3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 302.38 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 126930486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).