2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol

C19H19N3O2 — CID 137029410

IUPAC2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol
SMILESCC(COc1cc(-c2ccccc2O)nnc1N)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)12-24-18-11-16(21-22-19(18)20)15-9-5-6-10-17(15)23/h2-11,13,23H,12H2,1H3,(H2,20,22)
InChIKeyVVYATDRFTFUUGA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.61
Rot. Bonds5

About 2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol

2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol (PubChem CID 137029410) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol
PubChem CID137029410
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol
SMILESCC(COc1cc(-c2ccccc2O)nnc1N)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)12-24-18-11-16(21-22-19(18)20)15-9-5-6-10-17(15)23/h2-11,13,23H,12H2,1H3,(H2,20,22)
InChIKeyVVYATDRFTFUUGA-UHFFFAOYSA-N
XLogP3.61
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10308614, Example 173
CID 137029363
US10308614, Example 169
CID 137029378
US10308614, Example 177
CID 137029380
US10308614, Example 175
CID 137029382
US10308614, Example 179
CID 137029383
US10308614, Example 170
CID 137029385
US10308614, Example 165
CID 137029386
US10308614, Example 213
CID 137029389
US10308614, Example 172
CID 137029393
US10308614, Example 164
CID 137029395
US10308614, Example 168
CID 137029399
US10308614, Example 241
CID 137029456

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol (CID 137029410) is 2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol is CC(COc1cc(-c2ccccc2O)nnc1N)c1ccccc1.
What is the InChIKey of 2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol?
The InChIKey is VVYATDRFTFUUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)12-24-18-11-16(21-22-19(18)20)15-9-5-6-10-17(15)23/h2-11,13,23H,12H2,1H3,(H2,20,22).
What are the key properties of 2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol?
2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol has a molecular weight of 321.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(2-phenylpropoxy)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).