4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one

C11H18N4O — CID 155284729

IUPAC4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1NC1CCCN(C)C1
InChIInChI=1S/C11H18N4O/c1-8-6-10(16)13-14-11(8)12-9-4-3-5-15(2)7-9/h6,9H,3-5,7H2,1-2H3,(H,12,14)(H,13,16)
InChIKeyYLFFSGIRGFCAKO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.58
Rot. Bonds2

About 4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one

4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one (PubChem CID 155284729) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one
PubChem CID155284729
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1NC1CCCN(C)C1
InChIInChI=1S/C11H18N4O/c1-8-6-10(16)13-14-11(8)12-9-4-3-5-15(2)7-9/h6,9H,3-5,7H2,1-2H3,(H,12,14)(H,13,16)
InChIKeyYLFFSGIRGFCAKO-UHFFFAOYSA-N
XLogP0.58
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Aminopiperidin-1-YL)-2,3-dihydropyridazin-3-one
CID 124052724
4-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1H-pyridazin-6-one
CID 155284728
3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one
CID 178116543
6-((1-Methylpiperidin-4-yl)amino)pyridazin-3-ol
CID 121205938
6-(3-Aminopiperidin-1-YL)-2-methyl-2,3-dihydropyridazin-3-one
CID 124052725
3-[(3R)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one
CID 124938643
3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one
CID 124938644
6-(2-{[(Cyclopropylmethyl)amino]methyl}piperidin-1-yl)-2,3-dihydropyridazin-3-one
CID 126930419
6-{2-[(Cyclobutylamino)methyl]piperidin-1-yl}-2,3-dihydropyridazin-3-one
CID 126930470
2-Methyl-6-({[1-(6-oxo-1,6-dihydropyridazin-3-yl)piperidin-2-yl]methyl}amino)-2,3-dihydropyridazin-3-one
CID 126930552
3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride
CID 146050578
CID 179199462
CID 179199462

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one (CID 155284729) is 4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one is Cc1cc(=O)[nH]nc1NC1CCCN(C)C1.
What is the InChIKey of 4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one?
The InChIKey is YLFFSGIRGFCAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-6-10(16)13-14-11(8)12-9-4-3-5-15(2)7-9/h6,9H,3-5,7H2,1-2H3,(H,12,14)(H,13,16).
What are the key properties of 4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one?
4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 155284729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).