[3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine

C13H15N3O2 — CID 80508075

IUPAC[3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine
SMILESCCOc1ccc(Oc2nnccc2CN)cc1
InChIInChI=1S/C13H15N3O2/c1-2-17-11-3-5-12(6-4-11)18-13-10(9-14)7-8-15-16-13/h3-8H,2,9,14H2,1H3
InChIKeyPUVBEVBCLKUKBV-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.13
Rot. Bonds5

About [3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine

[3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine (PubChem CID 80508075) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine
PubChem CID80508075
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine
SMILESCCOc1ccc(Oc2nnccc2CN)cc1
InChIInChI=1S/C13H15N3O2/c1-2-17-11-3-5-12(6-4-11)18-13-10(9-14)7-8-15-16-13/h3-8H,2,9,14H2,1H3
InChIKeyPUVBEVBCLKUKBV-UHFFFAOYSA-N
XLogP2.13
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-propylphenoxy)pyridazin-4-yl]methanamine
CID 80507890
(3-phenoxypyridazin-4-yl)methanamine
CID 80507739
[3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine
CID 107055931
[3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine
CID 80508065
[3-(1-ethoxypropan-2-yloxy)pyridazin-4-yl]methanamine
CID 103486302
[3-(4-methylcyclohexyl)oxypyridazin-4-yl]methanamine
CID 80507790
[3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507794
[3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507987
[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine
CID 80507747
N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide
CID 80507952
[3-[(3-methoxyphenyl)methoxy]pyridazin-4-yl]methanamine
CID 80508057
[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175556

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine?
The IUPAC name of [3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine (CID 80508075) is [3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine is CCOc1ccc(Oc2nnccc2CN)cc1.
What is the InChIKey of [3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine?
The InChIKey is PUVBEVBCLKUKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-17-11-3-5-12(6-4-11)18-13-10(9-14)7-8-15-16-13/h3-8H,2,9,14H2,1H3.
What are the key properties of [3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine?
[3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine has a molecular weight of 245.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80508075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).