5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide

C13H9BrN6O — CID 86992070

IUPAC5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1cncc(Br)c1
InChIInChI=1S/C13H9BrN6O/c14-9-5-8(6-15-7-9)12(21)18-13-17-11(19-20-13)10-3-1-2-4-16-10/h1-7H,(H2,17,18,19,20,21)
InChIKeyABFNARUEKSGGIQ-UHFFFAOYSA-N
MW345.16 g/mol
LogP2.28
Rot. Bonds3

About 5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide

5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide (PubChem CID 86992070) has the molecular formula C13H9BrN6O and a molecular weight of 345.16 g/mol. Its IUPAC name is 5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
PubChem CID86992070
Molecular FormulaC13H9BrN6O
Molecular Weight345.16 g/mol
Exact Mass344.00
IUPAC Name5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1cncc(Br)c1
InChIInChI=1S/C13H9BrN6O/c14-9-5-8(6-15-7-9)12(21)18-13-17-11(19-20-13)10-3-1-2-4-16-10/h1-7H,(H2,17,18,19,20,21)
InChIKeyABFNARUEKSGGIQ-UHFFFAOYSA-N
XLogP2.28
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide (CID 86992070) is 5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide is O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide?
The InChIKey is ABFNARUEKSGGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN6O/c14-9-5-8(6-15-7-9)12(21)18-13-17-11(19-20-13)10-3-1-2-4-16-10/h1-7H,(H2,17,18,19,20,21).
What are the key properties of 5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide?
5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide has a molecular weight of 345.16 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 86992070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).