3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

C19H16N4O — CID 50905756

IUPAC3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12
InChIInChI=1S/C19H16N4O/c1-2-18-20-21-19-13-12-17(22-23(18)19)14-8-10-16(11-9-14)24-15-6-4-3-5-7-15/h3-13H,2H2,1H3
InChIKeyWMSHCZHRRXPYJV-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.15
Rot. Bonds4

About 3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 50905756) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID50905756
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12
InChIInChI=1S/C19H16N4O/c1-2-18-20-21-19-13-12-17(22-23(18)19)14-8-10-16(11-9-14)24-15-6-4-3-5-7-15/h3-13H,2H2,1H3
InChIKeyWMSHCZHRRXPYJV-UHFFFAOYSA-N
XLogP4.15
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 50905756) is 3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is CCc1nnc2ccc(-c3ccc(Oc4ccccc4)cc3)nn12.
What is the InChIKey of 3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WMSHCZHRRXPYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-18-20-21-19-13-12-17(22-23(18)19)14-8-10-16(11-9-14)24-15-6-4-3-5-7-15/h3-13H,2H2,1H3.
What are the key properties of 3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 316.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 50905756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).