6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine

C13H8N4O — CID 119058904

IUPAC6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine
SMILESc1ccc2oc(-c3cnc4n[nH]nc4c3)cc2c1
InChIInChI=1S/C13H8N4O/c1-2-4-11-8(3-1)6-12(18-11)9-5-10-13(14-7-9)16-17-15-10/h1-7H,(H,14,15,16,17)
InChIKeyYOHZKKZCNVPENL-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.77
Rot. Bonds1

About 6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine

6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine (PubChem CID 119058904) has the molecular formula C13H8N4O and a molecular weight of 236.23 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine
PubChem CID119058904
Molecular FormulaC13H8N4O
Molecular Weight236.23 g/mol
Exact Mass236.07
IUPAC Name6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine
SMILESc1ccc2oc(-c3cnc4n[nH]nc4c3)cc2c1
InChIInChI=1S/C13H8N4O/c1-2-4-11-8(3-1)6-12(18-11)9-5-10-13(14-7-9)16-17-15-10/h1-7H,(H,14,15,16,17)
InChIKeyYOHZKKZCNVPENL-UHFFFAOYSA-N
XLogP2.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
5-(1-benzofuran-2-yl)-2-methylpyridine
CID 146179500
2-methoxy-3-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline
CID 155911258
2-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617
[2-(1-benzofuran-2-yl)-1H-imidazol-5-yl]methanamine
CID 63108798
2-[4-(1-benzofuran-2-yl)-2-pyridinyl]ethanamine
CID 82388761
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121
3-(1-benzofuran-2-yl)pyrazin-2-amine
CID 114734408
1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol
CID 150504455
1-benzofuran-2-ylboronic acid;5-(1-benzofuran-2-yl)-2-chloropyridine
CID 159610411
4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine
CID 169089879
2-[4-(1-benzofuran-2-yl)phenyl]ethanamine
CID 110282118

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine?
The IUPAC name of 6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine (CID 119058904) is 6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine is c1ccc2oc(-c3cnc4n[nH]nc4c3)cc2c1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine?
The InChIKey is YOHZKKZCNVPENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O/c1-2-4-11-8(3-1)6-12(18-11)9-5-10-13(14-7-9)16-17-15-10/h1-7H,(H,14,15,16,17).
What are the key properties of 6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine?
6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine has a molecular weight of 236.23 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-2H-triazolo[4,5-b]pyridine is sourced from PubChem (CID 119058904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).