(3-phenoxypyridazin-4-yl)methanamine

C11H11N3O — CID 80507739

IUPAC(3-phenoxypyridazin-4-yl)methanamine
SMILESNCc1ccnnc1Oc1ccccc1
InChIInChI=1S/C11H11N3O/c12-8-9-6-7-13-14-11(9)15-10-4-2-1-3-5-10/h1-7H,8,12H2
InChIKeyUAJDROKFYSPALK-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.73
Rot. Bonds3

About (3-phenoxypyridazin-4-yl)methanamine

(3-phenoxypyridazin-4-yl)methanamine (PubChem CID 80507739) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (3-phenoxypyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(3-phenoxypyridazin-4-yl)methanamine
PubChem CID80507739
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(3-phenoxypyridazin-4-yl)methanamine
SMILESNCc1ccnnc1Oc1ccccc1
InChIInChI=1S/C11H11N3O/c12-8-9-6-7-13-14-11(9)15-10-4-2-1-3-5-10/h1-7H,8,12H2
InChIKeyUAJDROKFYSPALK-UHFFFAOYSA-N
XLogP1.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine
CID 80508075
[3-(4-propylphenoxy)pyridazin-4-yl]methanamine
CID 80507890
[3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine
CID 80508065
N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide
CID 80507952
[3-[(3-methoxyphenyl)methoxy]pyridazin-4-yl]methanamine
CID 80508057
[3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine
CID 80507730
[3-(oxetan-3-yloxy)pyridazin-4-yl]methanamine
CID 102605386
[3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507987
[3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507794
4-(aminomethyl)-N-benzylpyridazin-3-amine
CID 14042752
[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine
CID 80507747
[3-(4-methylcyclohexyl)oxypyridazin-4-yl]methanamine
CID 80507790

Frequently Asked Questions

What is the IUPAC name of (3-phenoxypyridazin-4-yl)methanamine?
The IUPAC name of (3-phenoxypyridazin-4-yl)methanamine (CID 80507739) is (3-phenoxypyridazin-4-yl)methanamine.
What is the SMILES notation for (3-phenoxypyridazin-4-yl)methanamine?
The canonical SMILES for (3-phenoxypyridazin-4-yl)methanamine is NCc1ccnnc1Oc1ccccc1.
What is the InChIKey of (3-phenoxypyridazin-4-yl)methanamine?
The InChIKey is UAJDROKFYSPALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-8-9-6-7-13-14-11(9)15-10-4-2-1-3-5-10/h1-7H,8,12H2.
What are the key properties of (3-phenoxypyridazin-4-yl)methanamine?
(3-phenoxypyridazin-4-yl)methanamine has a molecular weight of 201.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxypyridazin-4-yl)methanamine is sourced from PubChem (CID 80507739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).