6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C19H24N6O — CID 176502985

IUPAC6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCOc1ccc(-c2cc(NCCN3CCCCC3)c3nncn3n2)cc1
InChIInChI=1S/C19H24N6O/c1-26-16-7-5-15(6-8-16)17-13-18(19-22-21-14-25(19)23-17)20-9-12-24-10-3-2-4-11-24/h5-8,13-14,20H,2-4,9-12H2,1H3
InChIKeyOZLBMZSHDKBDFL-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.70
Rot. Bonds6

About 6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 176502985) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID176502985
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCOc1ccc(-c2cc(NCCN3CCCCC3)c3nncn3n2)cc1
InChIInChI=1S/C19H24N6O/c1-26-16-7-5-15(6-8-16)17-13-18(19-22-21-14-25(19)23-17)20-9-12-24-10-3-2-4-11-24/h5-8,13-14,20H,2-4,9-12H2,1H3
InChIKeyOZLBMZSHDKBDFL-UHFFFAOYSA-N
XLogP2.70
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 176502985) is 6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is COc1ccc(-c2cc(NCCN3CCCCC3)c3nncn3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is OZLBMZSHDKBDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-26-16-7-5-15(6-8-16)17-13-18(19-22-21-14-25(19)23-17)20-9-12-24-10-3-2-4-11-24/h5-8,13-14,20H,2-4,9-12H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 352.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 176502985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).