[3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine

C13H15N3O2 — CID 80508065

IUPAC[3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine
SMILESCOCc1cccc(Oc2nnccc2CN)c1
InChIInChI=1S/C13H15N3O2/c1-17-9-10-3-2-4-12(7-10)18-13-11(8-14)5-6-15-16-13/h2-7H,8-9,14H2,1H3
InChIKeyWLKLETBYVMNQBE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.87
Rot. Bonds5

About [3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine

[3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine (PubChem CID 80508065) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine
PubChem CID80508065
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine
SMILESCOCc1cccc(Oc2nnccc2CN)c1
InChIInChI=1S/C13H15N3O2/c1-17-9-10-3-2-4-12(7-10)18-13-11(8-14)5-6-15-16-13/h2-7H,8-9,14H2,1H3
InChIKeyWLKLETBYVMNQBE-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3-methoxyphenyl)methoxy]pyridazin-4-yl]methanamine
CID 80508057
(3-phenoxypyridazin-4-yl)methanamine
CID 80507739
[3-[3-(methoxymethyl)phenoxy]pyrazin-2-yl]methanamine
CID 63984754
3-[3-(methoxymethyl)phenoxy]pyridazine-4-carboxylic acid
CID 80518415
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
CID 107926521
[6-[3-(methoxymethyl)phenoxy]-5-methyl-3-pyridinyl]methanamine
CID 80633528
[2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine
CID 107542682
[3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine
CID 80508075
[2-(3-ethylphenoxy)-3-pyridinyl]methanamine
CID 24706317
3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine
CID 102988229
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052

Frequently Asked Questions

What is the IUPAC name of [3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine?
The IUPAC name of [3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine (CID 80508065) is [3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine?
The canonical SMILES for [3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine is COCc1cccc(Oc2nnccc2CN)c1.
What is the InChIKey of [3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine?
The InChIKey is WLKLETBYVMNQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-9-10-3-2-4-12(7-10)18-13-11(8-14)5-6-15-16-13/h2-7H,8-9,14H2,1H3.
What are the key properties of [3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine?
[3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine has a molecular weight of 245.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine is sourced from PubChem (CID 80508065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).