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

C21H13F2N5 — CID 24965874

IUPAC6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
SMILESFc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIInChI=1S/C21H13F2N5/c22-16-5-4-15(12-17(16)23)19-7-8-20-25-26-21(28(20)27-19)11-13-3-6-18-14(10-13)2-1-9-24-18/h1-10,12H,11H2
InChIKeyQRFFCWZXJYGMRK-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.21
Rot. Bonds3

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

6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline (PubChem CID 24965874) has the molecular formula C21H13F2N5 and a molecular weight of 373.37 g/mol. Its IUPAC name is 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
PubChem CID24965874
Molecular FormulaC21H13F2N5
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
SMILESFc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIInChI=1S/C21H13F2N5/c22-16-5-4-15(12-17(16)23)19-7-8-20-25-26-21(28(20)27-19)11-13-3-6-18-14(10-13)2-1-9-24-18/h1-10,12H,11H2
InChIKeyQRFFCWZXJYGMRK-UHFFFAOYSA-N
XLogP4.21
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline (CID 24965874) is 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline is Fc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F.
What is the InChIKey of 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline?
The InChIKey is QRFFCWZXJYGMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N5/c22-16-5-4-15(12-17(16)23)19-7-8-20-25-26-21(28(20)27-19)11-13-3-6-18-14(10-13)2-1-9-24-18/h1-10,12H,11H2.
What are the key properties of 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline?
6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline has a molecular weight of 373.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline is sourced from PubChem (CID 24965874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).