5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one

C16H15N5O2 — CID 155041180

IUPAC5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one
SMILESCNc1ccc(-c2ccc(-c3cnn(C)c(=O)c3)cc2O)nn1
InChIInChI=1S/C16H15N5O2/c1-17-15-6-5-13(19-20-15)12-4-3-10(7-14(12)22)11-8-16(23)21(2)18-9-11/h3-9,22H,1-2H3,(H,17,20)
InChIKeyDUORXJDEBNKDOW-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.65
Rot. Bonds3

About 5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one

5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one (PubChem CID 155041180) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one
PubChem CID155041180
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one
SMILESCNc1ccc(-c2ccc(-c3cnn(C)c(=O)c3)cc2O)nn1
InChIInChI=1S/C16H15N5O2/c1-17-15-6-5-13(19-20-15)12-4-3-10(7-14(12)22)11-8-16(23)21(2)18-9-11/h3-9,22H,1-2H3,(H,17,20)
InChIKeyDUORXJDEBNKDOW-UHFFFAOYSA-N
XLogP1.65
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one (CID 155041180) is 5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one is CNc1ccc(-c2ccc(-c3cnn(C)c(=O)c3)cc2O)nn1.
What is the InChIKey of 5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one?
The InChIKey is DUORXJDEBNKDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-17-15-6-5-13(19-20-15)12-4-3-10(7-14(12)22)11-8-16(23)21(2)18-9-11/h3-9,22H,1-2H3,(H,17,20).
What are the key properties of 5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one?
5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one has a molecular weight of 309.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-hydroxy-4-[6-(methylamino)pyridazin-3-yl]phenyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 155041180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).