6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline

C15H10ClN5 — CID 24968367

IUPAC6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
SMILESClc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIInChI=1S/C15H10ClN5/c16-13-5-6-14-18-19-15(21(14)20-13)9-10-3-4-12-11(8-10)2-1-7-17-12/h1-8H,9H2
InChIKeySPCIYNGHEUYYRN-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.92
Rot. Bonds2

About 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline

6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline (PubChem CID 24968367) has the molecular formula C15H10ClN5 and a molecular weight of 295.73 g/mol. Its IUPAC name is 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
PubChem CID24968367
Molecular FormulaC15H10ClN5
Molecular Weight295.73 g/mol
Exact Mass295.06
IUPAC Name6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
SMILESClc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIInChI=1S/C15H10ClN5/c16-13-5-6-14-18-19-15(21(14)20-13)9-10-3-4-12-11(8-10)2-1-7-17-12/h1-8H,9H2
InChIKeySPCIYNGHEUYYRN-UHFFFAOYSA-N
XLogP2.92
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
The IUPAC name of 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline (CID 24968367) is 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline.
What is the SMILES notation for 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
The canonical SMILES for 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline is Clc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.
What is the InChIKey of 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
The InChIKey is SPCIYNGHEUYYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5/c16-13-5-6-14-18-19-15(21(14)20-13)9-10-3-4-12-11(8-10)2-1-7-17-12/h1-8H,9H2.
What are the key properties of 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline has a molecular weight of 295.73 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline is sourced from PubChem (CID 24968367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).