3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one

C16H20N4O — CID 71580093

IUPAC3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one
SMILESCN1CCC(Nc2cc(-c3ccccc3)c(=O)[nH]n2)CC1
InChIInChI=1S/C16H20N4O/c1-20-9-7-13(8-10-20)17-15-11-14(16(21)19-18-15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18)(H,19,21)
InChIKeyJDBJGXAPKLXWIP-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.94
Rot. Bonds3

About 3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one

3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one (PubChem CID 71580093) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one
PubChem CID71580093
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one
SMILESCN1CCC(Nc2cc(-c3ccccc3)c(=O)[nH]n2)CC1
InChIInChI=1S/C16H20N4O/c1-20-9-7-13(8-10-20)17-15-11-14(16(21)19-18-15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18)(H,19,21)
InChIKeyJDBJGXAPKLXWIP-UHFFFAOYSA-N
XLogP1.94
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one (CID 71580093) is 3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one is CN1CCC(Nc2cc(-c3ccccc3)c(=O)[nH]n2)CC1.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one?
The InChIKey is JDBJGXAPKLXWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-9-7-13(8-10-20)17-15-11-14(16(21)19-18-15)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one?
3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one has a molecular weight of 284.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 71580093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).