2-[6-amino-5-[1-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol

C17H21N3O3 — CID 137029399

IUPAC2-[6-amino-5-[1-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol
SMILESCC(Oc1cc(-c2ccccc2O)nnc1N)C1CCOCC1
InChIInChI=1S/C17H21N3O3/c1-11(12-6-8-22-9-7-12)23-16-10-14(19-20-17(16)18)13-4-2-3-5-15(13)21/h2-5,10-12,21H,6-9H2,1H3,(H2,18,20)
InChIKeyICVVDNFTMKQVQK-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.63
Rot. Bonds4

About 2-[6-amino-5-[1-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol

2-[6-amino-5-[1-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol (PubChem CID 137029399) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[6-amino-5-[1-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[1-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol
PubChem CID137029399
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[6-amino-5-[1-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol
SMILESCC(Oc1cc(-c2ccccc2O)nnc1N)C1CCOCC1
InChIInChI=1S/C17H21N3O3/c1-11(12-6-8-22-9-7-12)23-16-10-14(19-20-17(16)18)13-4-2-3-5-15(13)21/h2-5,10-12,21H,6-9H2,1H3,(H2,18,20)
InChIKeyICVVDNFTMKQVQK-UHFFFAOYSA-N
XLogP2.63
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[1-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[1-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol (CID 137029399) is 2-[6-amino-5-[1-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[1-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[1-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol is CC(Oc1cc(-c2ccccc2O)nnc1N)C1CCOCC1.
What is the InChIKey of 2-[6-amino-5-[1-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol?
The InChIKey is ICVVDNFTMKQVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(12-6-8-22-9-7-12)23-16-10-14(19-20-17(16)18)13-4-2-3-5-15(13)21/h2-5,10-12,21H,6-9H2,1H3,(H2,18,20).
What are the key properties of 2-[6-amino-5-[1-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol?
2-[6-amino-5-[1-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol has a molecular weight of 315.37 g/mol, XLogP of 2.63, 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-(oxan-4-yl)ethoxy]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).