5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine

C17H22N4O2 — CID 118949070

IUPAC5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine
SMILESCCOc1nnc(-c2cc(N)cnc2C)cc1C1CCOCC1
InChIInChI=1S/C17H22N4O2/c1-3-23-17-15(12-4-6-22-7-5-12)9-16(20-21-17)14-8-13(18)10-19-11(14)2/h8-10,12H,3-7,18H2,1-2H3
InChIKeyUQYAGUOODIIACK-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.72
Rot. Bonds4

About 5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine

5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine (PubChem CID 118949070) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine.

Molecular Properties

Compound Name5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine
PubChem CID118949070
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine
SMILESCCOc1nnc(-c2cc(N)cnc2C)cc1C1CCOCC1
InChIInChI=1S/C17H22N4O2/c1-3-23-17-15(12-4-6-22-7-5-12)9-16(20-21-17)14-8-13(18)10-19-11(14)2/h8-10,12H,3-7,18H2,1-2H3
InChIKeyUQYAGUOODIIACK-UHFFFAOYSA-N
XLogP2.72
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine?
The IUPAC name of 5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine (CID 118949070) is 5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine.
What is the SMILES notation for 5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine?
The canonical SMILES for 5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine is CCOc1nnc(-c2cc(N)cnc2C)cc1C1CCOCC1.
What is the InChIKey of 5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine?
The InChIKey is UQYAGUOODIIACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-23-17-15(12-4-6-22-7-5-12)9-16(20-21-17)14-8-13(18)10-19-11(14)2/h8-10,12H,3-7,18H2,1-2H3.
What are the key properties of 5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine?
5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine has a molecular weight of 314.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methylpyridin-3-amine is sourced from PubChem (CID 118949070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).