2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide

C19H15N5 — CID 82565894

IUPAC2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2)cn2nc(-c3ccccc3)nc12
InChIInChI=1S/C19H15N5/c20-17(21)16-11-15(13-7-3-1-4-8-13)12-24-19(16)22-18(23-24)14-9-5-2-6-10-14/h1-12H,(H3,20,21)
InChIKeyJELYIBWMTAAISK-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.35
Rot. Bonds3

About 2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide

2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide (PubChem CID 82565894) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide.

Molecular Properties

Compound Name2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
PubChem CID82565894
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2)cn2nc(-c3ccccc3)nc12
InChIInChI=1S/C19H15N5/c20-17(21)16-11-15(13-7-3-1-4-8-13)12-24-19(16)22-18(23-24)14-9-5-2-6-10-14/h1-12H,(H3,20,21)
InChIKeyJELYIBWMTAAISK-UHFFFAOYSA-N
XLogP3.35
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The IUPAC name of 2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide (CID 82565894) is 2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide.
What is the SMILES notation for 2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The canonical SMILES for 2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide is [H]/N=C(\N)c1cc(-c2ccccc2)cn2nc(-c3ccccc3)nc12.
What is the InChIKey of 2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The InChIKey is JELYIBWMTAAISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c20-17(21)16-11-15(13-7-3-1-4-8-13)12-24-19(16)22-18(23-24)14-9-5-2-6-10-14/h1-12H,(H3,20,21).
What are the key properties of 2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide has a molecular weight of 313.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide is sourced from PubChem (CID 82565894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).