2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol

C17H16N4O2 — CID 137029394

IUPAC2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol
SMILESCC(Oc1cc(-c2ccccc2O)nnc1N)c1cccnc1
InChIInChI=1S/C17H16N4O2/c1-11(12-5-4-8-19-10-12)23-16-9-14(20-21-17(16)18)13-6-2-3-7-15(13)22/h2-11,22H,1H3,(H2,18,21)
InChIKeyNKBIWHYIOAQJBB-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.97
Rot. Bonds4

About 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol

2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol (PubChem CID 137029394) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol
PubChem CID137029394
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol
SMILESCC(Oc1cc(-c2ccccc2O)nnc1N)c1cccnc1
InChIInChI=1S/C17H16N4O2/c1-11(12-5-4-8-19-10-12)23-16-9-14(20-21-17(16)18)13-6-2-3-7-15(13)22/h2-11,22H,1H3,(H2,18,21)
InChIKeyNKBIWHYIOAQJBB-UHFFFAOYSA-N
XLogP2.97
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US10308614, Example 175
CID 137029382
US10308614, Example 172
CID 137029393
US10308614, Example 166
CID 137029457
US10308614, Example 167
CID 137029459
US10308614, Example 167
CID 137029459
US10308614, Example 180
CID 137029505
US10308614, Example 180
CID 137029505
US10308614, Example 181
CID 137029516
US10308614, Example 184
CID 137029515
US10308614, Example 181
CID 137029516
2-(6-Amino-5-(piperidin-3-yloxy)pyridazin-3-yl)phenol
CID 137045884
US10308614, Example 246
CID 137045949

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol (CID 137029394) is 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol is CC(Oc1cc(-c2ccccc2O)nnc1N)c1cccnc1.
What is the InChIKey of 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol?
The InChIKey is NKBIWHYIOAQJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11(12-5-4-8-19-10-12)23-16-9-14(20-21-17(16)18)13-6-2-3-7-15(13)22/h2-11,22H,1H3,(H2,18,21).
What are the key properties of 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol?
2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol has a molecular weight of 308.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).