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

C22H16N6 — CID 24831896

IUPAC6-[1-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)cyclopropyl]quinoline
SMILESc1ccc(-c2cnc3nnc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1
InChIInChI=1S/C22H16N6/c1-2-5-15(6-3-1)19-14-24-21-26-25-20(28(21)27-19)22(10-11-22)17-8-9-18-16(13-17)7-4-12-23-18/h1-9,12-14H,10-11H2
InChIKeySRSRMWXJQNEQGS-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.81
Rot. Bonds3

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

6-[1-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)cyclopropyl]quinoline (PubChem CID 24831896) has the molecular formula C22H16N6 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-[1-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)cyclopropyl]quinoline.

Molecular Properties

Compound Name6-[1-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)cyclopropyl]quinoline
PubChem CID24831896
Molecular FormulaC22H16N6
Molecular Weight364.41 g/mol
Exact Mass364.14
IUPAC Name6-[1-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)cyclopropyl]quinoline
SMILESc1ccc(-c2cnc3nnc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1
InChIInChI=1S/C22H16N6/c1-2-5-15(6-3-1)19-14-24-21-26-25-20(28(21)27-19)22(10-11-22)17-8-9-18-16(13-17)7-4-12-23-18/h1-9,12-14H,10-11H2
InChIKeySRSRMWXJQNEQGS-UHFFFAOYSA-N
XLogP3.81
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)cyclopropyl]quinoline?
The IUPAC name of 6-[1-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)cyclopropyl]quinoline (CID 24831896) is 6-[1-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)cyclopropyl]quinoline.
What is the SMILES notation for 6-[1-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)cyclopropyl]quinoline?
The canonical SMILES for 6-[1-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)cyclopropyl]quinoline is c1ccc(-c2cnc3nnc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1.
What is the InChIKey of 6-[1-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)cyclopropyl]quinoline?
The InChIKey is SRSRMWXJQNEQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6/c1-2-5-15(6-3-1)19-14-24-21-26-25-20(28(21)27-19)22(10-11-22)17-8-9-18-16(13-17)7-4-12-23-18/h1-9,12-14H,10-11H2.
What are the key properties of 6-[1-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)cyclopropyl]quinoline?
6-[1-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)cyclopropyl]quinoline has a molecular weight of 364.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)cyclopropyl]quinoline is sourced from PubChem (CID 24831896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).