2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one

C16H22N6O — CID 126930745

IUPAC2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
SMILESCc1nccnc1NCC1CCCCN1c1ccc(=O)n(C)n1
InChIInChI=1S/C16H22N6O/c1-12-16(18-9-8-17-12)19-11-13-5-3-4-10-22(13)14-6-7-15(23)21(2)20-14/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyIQBRCTDAUKJTOG-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.35
Rot. Bonds4

About 2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one

2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 126930745) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
PubChem CID126930745
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
SMILESCc1nccnc1NCC1CCCCN1c1ccc(=O)n(C)n1
InChIInChI=1S/C16H22N6O/c1-12-16(18-9-8-17-12)19-11-13-5-3-4-10-22(13)14-6-7-15(23)21(2)20-14/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyIQBRCTDAUKJTOG-UHFFFAOYSA-N
XLogP1.35
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930873
2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126930820
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]morpholine-4-sulfonamide
CID 126930689
6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931157
6-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931111
5-methyl-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]thiophene-2-carboxamide
CID 126930659
2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126930807
2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126930784
2-propan-2-yl-6-[2-[(pyrido[3,4-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931249
1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide
CID 126930618
2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931091
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 126930642

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one (CID 126930745) is 2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one is Cc1nccnc1NCC1CCCCN1c1ccc(=O)n(C)n1.
What is the InChIKey of 2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is IQBRCTDAUKJTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-16(18-9-8-17-12)19-11-13-5-3-4-10-22(13)14-6-7-15(23)21(2)20-14/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 314.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 126930745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).