6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine

C12H11BrN6 — CID 79342408

IUPAC6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(C3Cc4nc[nH]c4CN3)n2c1
InChIInChI=1S/C12H11BrN6/c13-7-1-2-11-17-18-12(19(11)5-7)9-3-8-10(4-14-9)16-6-15-8/h1-2,5-6,9,14H,3-4H2,(H,15,16)
InChIKeyWYBLSJSLIJLTCW-UHFFFAOYSA-N
MW319.17 g/mol
LogP1.60
Rot. Bonds1

About 6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 79342408) has the molecular formula C12H11BrN6 and a molecular weight of 319.17 g/mol. Its IUPAC name is 6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID79342408
Molecular FormulaC12H11BrN6
Molecular Weight319.17 g/mol
Exact Mass318.02
IUPAC Name6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(C3Cc4nc[nH]c4CN3)n2c1
InChIInChI=1S/C12H11BrN6/c13-7-1-2-11-17-18-12(19(11)5-7)9-3-8-10(4-14-9)16-6-15-8/h1-2,5-6,9,14H,3-4H2,(H,15,16)
InChIKeyWYBLSJSLIJLTCW-UHFFFAOYSA-N
XLogP1.60
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 79342408) is 6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine is Brc1ccc2nnc(C3Cc4nc[nH]c4CN3)n2c1.
What is the InChIKey of 6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WYBLSJSLIJLTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN6/c13-7-1-2-11-17-18-12(19(11)5-7)9-3-8-10(4-14-9)16-6-15-8/h1-2,5-6,9,14H,3-4H2,(H,15,16).
What are the key properties of 6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 319.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 79342408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).