6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline

C25H17FN8 — CID 59216345

IUPAC6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline
SMILESFc1cc(-c2cnc3nnc(C4(c5ccc6ncccc6c5)CC4)n3n2)ccc1-n1ccnc1
InChIInChI=1S/C25H17FN8/c26-19-13-17(3-6-22(19)33-11-10-27-15-33)21-14-29-24-31-30-23(34(24)32-21)25(7-8-25)18-4-5-20-16(12-18)2-1-9-28-20/h1-6,9-15H,7-8H2
InChIKeyGKZMVFGRWAOXBN-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.14
Rot. Bonds4

About 6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline

6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline (PubChem CID 59216345) has the molecular formula C25H17FN8 and a molecular weight of 448.47 g/mol. Its IUPAC name is 6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline.

Molecular Properties

Compound Name6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline
PubChem CID59216345
Molecular FormulaC25H17FN8
Molecular Weight448.47 g/mol
Exact Mass448.16
IUPAC Name6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline
SMILESFc1cc(-c2cnc3nnc(C4(c5ccc6ncccc6c5)CC4)n3n2)ccc1-n1ccnc1
InChIInChI=1S/C25H17FN8/c26-19-13-17(3-6-22(19)33-11-10-27-15-33)21-14-29-24-31-30-23(34(24)32-21)25(7-8-25)18-4-5-20-16(12-18)2-1-9-28-20/h1-6,9-15H,7-8H2
InChIKeyGKZMVFGRWAOXBN-UHFFFAOYSA-N
XLogP4.14
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline?
The IUPAC name of 6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline (CID 59216345) is 6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline.
What is the SMILES notation for 6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline?
The canonical SMILES for 6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline is Fc1cc(-c2cnc3nnc(C4(c5ccc6ncccc6c5)CC4)n3n2)ccc1-n1ccnc1.
What is the InChIKey of 6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline?
The InChIKey is GKZMVFGRWAOXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN8/c26-19-13-17(3-6-22(19)33-11-10-27-15-33)21-14-29-24-31-30-23(34(24)32-21)25(7-8-25)18-4-5-20-16(12-18)2-1-9-28-20/h1-6,9-15H,7-8H2.
What are the key properties of 6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline?
6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline has a molecular weight of 448.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[6-(3-fluoro-4-imidazol-1-ylphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl]quinoline is sourced from PubChem (CID 59216345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).