4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine

C15H13Cl2N5O — CID 1283104

IUPAC4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine
SMILESClc1cccc(Cl)c1-c1nnc2ccc(N3CCOCC3)nn12
InChIInChI=1S/C15H13Cl2N5O/c16-10-2-1-3-11(17)14(10)15-19-18-12-4-5-13(20-22(12)15)21-6-8-23-9-7-21/h1-5H,6-9H2
InChIKeyMZPZFIYBDWWFCS-UHFFFAOYSA-N
MW350.21 g/mol
LogP2.93
Rot. Bonds2

About 4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine

4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine (PubChem CID 1283104) has the molecular formula C15H13Cl2N5O and a molecular weight of 350.21 g/mol. Its IUPAC name is 4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine
PubChem CID1283104
Molecular FormulaC15H13Cl2N5O
Molecular Weight350.21 g/mol
Exact Mass349.05
IUPAC Name4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine
SMILESClc1cccc(Cl)c1-c1nnc2ccc(N3CCOCC3)nn12
InChIInChI=1S/C15H13Cl2N5O/c16-10-2-1-3-11(17)14(10)15-19-18-12-4-5-13(20-22(12)15)21-6-8-23-9-7-21/h1-5H,6-9H2
InChIKeyMZPZFIYBDWWFCS-UHFFFAOYSA-N
XLogP2.93
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
The IUPAC name of 4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine (CID 1283104) is 4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine.
What is the SMILES notation for 4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
The canonical SMILES for 4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine is Clc1cccc(Cl)c1-c1nnc2ccc(N3CCOCC3)nn12.
What is the InChIKey of 4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
The InChIKey is MZPZFIYBDWWFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O/c16-10-2-1-3-11(17)14(10)15-19-18-12-4-5-13(20-22(12)15)21-6-8-23-9-7-21/h1-5H,6-9H2.
What are the key properties of 4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine has a molecular weight of 350.21 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine is sourced from PubChem (CID 1283104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).