(6-phenoxypyridazin-3-yl)methanamine

C11H11N3O — CID 62296458

IUPAC(6-phenoxypyridazin-3-yl)methanamine
SMILESNCc1ccc(Oc2ccccc2)nn1
InChIInChI=1S/C11H11N3O/c12-8-9-6-7-11(14-13-9)15-10-4-2-1-3-5-10/h1-7H,8,12H2
InChIKeyCMVSBLDLUVHWHZ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.73
Rot. Bonds3

About (6-phenoxypyridazin-3-yl)methanamine

(6-phenoxypyridazin-3-yl)methanamine (PubChem CID 62296458) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (6-phenoxypyridazin-3-yl)methanamine.

Molecular Properties

Compound Name(6-phenoxypyridazin-3-yl)methanamine
PubChem CID62296458
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(6-phenoxypyridazin-3-yl)methanamine
SMILESNCc1ccc(Oc2ccccc2)nn1
InChIInChI=1S/C11H11N3O/c12-8-9-6-7-11(14-13-9)15-10-4-2-1-3-5-10/h1-7H,8,12H2
InChIKeyCMVSBLDLUVHWHZ-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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Frequently Asked Questions

What is the IUPAC name of (6-phenoxypyridazin-3-yl)methanamine?
The IUPAC name of (6-phenoxypyridazin-3-yl)methanamine (CID 62296458) is (6-phenoxypyridazin-3-yl)methanamine.
What is the SMILES notation for (6-phenoxypyridazin-3-yl)methanamine?
The canonical SMILES for (6-phenoxypyridazin-3-yl)methanamine is NCc1ccc(Oc2ccccc2)nn1.
What is the InChIKey of (6-phenoxypyridazin-3-yl)methanamine?
The InChIKey is CMVSBLDLUVHWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-8-9-6-7-11(14-13-9)15-10-4-2-1-3-5-10/h1-7H,8,12H2.
What are the key properties of (6-phenoxypyridazin-3-yl)methanamine?
(6-phenoxypyridazin-3-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 (6-phenoxypyridazin-3-yl)methanamine is sourced from PubChem (CID 62296458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).