2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol

C16H21N3O2 — CID 137029395

IUPAC2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol
SMILESCC(Oc1cc(-c2ccccc2O)nnc1N)C(C)(C)C
InChIInChI=1S/C16H21N3O2/c1-10(16(2,3)4)21-14-9-12(18-19-15(14)17)11-7-5-6-8-13(11)20/h5-10,20H,1-4H3,(H2,17,19)
InChIKeyMIYRHUMMZVAKMP-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.24
Rot. Bonds3

About 2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol

2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol (PubChem CID 137029395) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol
PubChem CID137029395
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol
SMILESCC(Oc1cc(-c2ccccc2O)nnc1N)C(C)(C)C
InChIInChI=1S/C16H21N3O2/c1-10(16(2,3)4)21-14-9-12(18-19-15(14)17)11-7-5-6-8-13(11)20/h5-10,20H,1-4H3,(H2,17,19)
InChIKeyMIYRHUMMZVAKMP-UHFFFAOYSA-N
XLogP3.24
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.24
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 172
CID 137029393
US10308614, Example 168
CID 137029399
US10308614, Example 178
CID 137029410
US10308614, Example 239
CID 137029455
US10308614, Example 241
CID 137029456

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol (CID 137029395) is 2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol is CC(Oc1cc(-c2ccccc2O)nnc1N)C(C)(C)C.
What is the InChIKey of 2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol?
The InChIKey is MIYRHUMMZVAKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(16(2,3)4)21-14-9-12(18-19-15(14)17)11-7-5-6-8-13(11)20/h5-10,20H,1-4H3,(H2,17,19).
What are the key properties of 2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol?
2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol has a molecular weight of 287.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(3,3-dimethylbutan-2-yloxy)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).