[6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine

C16H19N3O — CID 82305604

IUPAC[6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine
SMILESNCc1ccc(-c2ccc(OC3CCCC3)cc2)nn1
InChIInChI=1S/C16H19N3O/c17-11-13-7-10-16(19-18-13)12-5-8-15(9-6-12)20-14-3-1-2-4-14/h5-10,14H,1-4,11,17H2
InChIKeyFEDNRSJIIKFFNW-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.92
Rot. Bonds4

About [6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine

[6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine (PubChem CID 82305604) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine
PubChem CID82305604
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine
SMILESNCc1ccc(-c2ccc(OC3CCCC3)cc2)nn1
InChIInChI=1S/C16H19N3O/c17-11-13-7-10-16(19-18-13)12-5-8-15(9-6-12)20-14-3-1-2-4-14/h5-10,14H,1-4,11,17H2
InChIKeyFEDNRSJIIKFFNW-UHFFFAOYSA-N
XLogP2.92
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine?
The IUPAC name of [6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine (CID 82305604) is [6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine?
The canonical SMILES for [6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine is NCc1ccc(-c2ccc(OC3CCCC3)cc2)nn1.
What is the InChIKey of [6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine?
The InChIKey is FEDNRSJIIKFFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-11-13-7-10-16(19-18-13)12-5-8-15(9-6-12)20-14-3-1-2-4-14/h5-10,14H,1-4,11,17H2.
What are the key properties of [6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine?
[6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine has a molecular weight of 269.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-cyclopentyloxyphenyl)pyridazin-3-yl]methanamine is sourced from PubChem (CID 82305604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).