2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one

C16H22N2O2 — CID 62850324

IUPAC2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one
SMILESO=c1cccnn1CC(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H22N2O2/c19-14(10-18-15(20)2-1-3-17-18)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-14,19H,4-10H2
InChIKeyQFHHKBNXYJLHMU-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.82
Rot. Bonds3

About 2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one

2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one (PubChem CID 62850324) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one
PubChem CID62850324
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one
SMILESO=c1cccnn1CC(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H22N2O2/c19-14(10-18-15(20)2-1-3-17-18)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-14,19H,4-10H2
InChIKeyQFHHKBNXYJLHMU-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one (CID 62850324) is 2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one is O=c1cccnn1CC(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one?
The InChIKey is QFHHKBNXYJLHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-14(10-18-15(20)2-1-3-17-18)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-14,19H,4-10H2.
What are the key properties of 2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one?
2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one has a molecular weight of 274.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-adamantyl)-2-hydroxyethyl]pyridazin-3-one is sourced from PubChem (CID 62850324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).