1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one

C15H16N4O2 — CID 162659551

IUPAC1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC(=O)CC1
InChIInChI=1S/C15H16N4O2/c16-15-13(19-7-5-10(20)6-8-19)9-12(17-18-15)11-3-1-2-4-14(11)21/h1-4,9,21H,5-8H2,(H2,16,18)
InChIKeyDFBSTBIVTXNUDF-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.60
Rot. Bonds2

About 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one

1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one (PubChem CID 162659551) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one
PubChem CID162659551
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC(=O)CC1
InChIInChI=1S/C15H16N4O2/c16-15-13(19-7-5-10(20)6-8-19)9-12(17-18-15)11-3-1-2-4-14(11)21/h1-4,9,21H,5-8H2,(H2,16,18)
InChIKeyDFBSTBIVTXNUDF-UHFFFAOYSA-N
XLogP1.60
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one?
The IUPAC name of 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one (CID 162659551) is 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one.
What is the SMILES notation for 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one?
The canonical SMILES for 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one is Nc1nnc(-c2ccccc2O)cc1N1CCC(=O)CC1.
What is the InChIKey of 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one?
The InChIKey is DFBSTBIVTXNUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-15-13(19-7-5-10(20)6-8-19)9-12(17-18-15)11-3-1-2-4-14(11)21/h1-4,9,21H,5-8H2,(H2,16,18).
What are the key properties of 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one?
1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one has a molecular weight of 284.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one is sourced from PubChem (CID 162659551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).