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

C11H18N4O — CID 121205010

IUPAC3-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one
SMILESCN1CCC(N(C)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H18N4O/c1-14-7-5-9(6-8-14)15(2)10-3-4-11(16)13-12-10/h3-4,9H,5-8H2,1-2H3,(H,13,16)
InChIKeyGNZKUWUVXRUTBW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.30
Rot. Bonds2

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

3-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one (PubChem CID 121205010) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one
PubChem CID121205010
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one
SMILESCN1CCC(N(C)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H18N4O/c1-14-7-5-9(6-8-14)15(2)10-3-4-11(16)13-12-10/h3-4,9H,5-8H2,1-2H3,(H,13,16)
InChIKeyGNZKUWUVXRUTBW-UHFFFAOYSA-N
XLogP0.30
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 3-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one (CID 121205010) is 3-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 3-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one is CN1CCC(N(C)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one?
The InChIKey is GNZKUWUVXRUTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-7-5-9(6-8-14)15(2)10-3-4-11(16)13-12-10/h3-4,9H,5-8H2,1-2H3,(H,13,16).
What are the key properties of 3-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one?
3-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 121205010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).