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

C17H17N4O2+ — CID 145145645

IUPAC2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-1-ium-3-yl]phenol
SMILESCC(Oc1cc(-c2ccccc2O)n[nH+]c1N)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)/p+1
InChIKeyNKBIWHYIOAQJBB-UHFFFAOYSA-O
MW309.35 g/mol
LogP2.39
Rot. Bonds4

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

2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-1-ium-3-yl]phenol (PubChem CID 145145645) has the molecular formula C17H17N4O2+ and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-1-ium-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-1-ium-3-yl]phenol
PubChem CID145145645
Molecular FormulaC17H17N4O2+
Molecular Weight309.35 g/mol
Exact Mass309.13
IUPAC Name2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-1-ium-3-yl]phenol
SMILESCC(Oc1cc(-c2ccccc2O)n[nH+]c1N)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)/p+1
InChIKeyNKBIWHYIOAQJBB-UHFFFAOYSA-O
XLogP2.39
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol
CID 137029385
3-(1-pyridin-3-ylethoxy)aniline
CID 82036967
5-(1-pyridin-3-ylethoxy)naphthalen-1-amine
CID 82037866
4-nitro-2-(1-pyridin-3-ylethoxy)aniline
CID 82037809
3-[(1S)-1-propan-2-yloxyethyl]pyridine
CID 134380003
[3-(1-pyridin-3-ylethoxy)phenyl]methanamine
CID 82037282
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
[5-bromo-3-(1-pyridin-3-ylethoxy)-2-pyridinyl]-methoxyazanium
CID 164859234
3-(1-pyridin-3-ylethoxy)benzaldehyde
CID 82037066
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
1-[5-bromo-2-[(1S)-1-phenylethoxy]phenyl]-2-pyridin-3-ylethanone
CID 159209384
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-1-ium-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-1-ium-3-yl]phenol (CID 145145645) is 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-1-ium-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-1-ium-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-1-ium-3-yl]phenol is CC(Oc1cc(-c2ccccc2O)n[nH+]c1N)c1cccnc1.
What is the InChIKey of 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-1-ium-3-yl]phenol?
The InChIKey is NKBIWHYIOAQJBB-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-1-ium-3-yl]phenol?
2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-1-ium-3-yl]phenol has a molecular weight of 309.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(1-pyridin-3-ylethoxy)pyridazin-1-ium-3-yl]phenol is sourced from PubChem (CID 145145645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).