5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol

C16H15N5O2 — CID 155041644

IUPAC5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol
SMILESCNc1ccc(-c2ccc(-c3cnnc(OC)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(23-2)21-18-9-11/h3-9,22H,1-2H3,(H,17,20)
InChIKeyLXMNOKXEDANWOO-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.36
Rot. Bonds4

About 5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol

5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol (PubChem CID 155041644) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol
PubChem CID155041644
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol
SMILESCNc1ccc(-c2ccc(-c3cnnc(OC)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(23-2)21-18-9-11/h3-9,22H,1-2H3,(H,17,20)
InChIKeyLXMNOKXEDANWOO-UHFFFAOYSA-N
XLogP2.36
TPSA93.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol?
The IUPAC name of 5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol (CID 155041644) is 5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol.
What is the SMILES notation for 5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol?
The canonical SMILES for 5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol is CNc1ccc(-c2ccc(-c3cnnc(OC)c3)cc2O)nn1.
What is the InChIKey of 5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol?
The InChIKey is LXMNOKXEDANWOO-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(23-2)21-18-9-11/h3-9,22H,1-2H3,(H,17,20).
What are the key properties of 5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol?
5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol has a molecular weight of 309.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol is sourced from PubChem (CID 155041644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).