3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole

C16H10N6O — CID 22479907

IUPAC3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole
SMILESc1ccc2oc(-c3n[nH]c4ccc(-c5nn[nH]n5)cc34)cc2c1
InChIInChI=1S/C16H10N6O/c1-2-4-13-9(3-1)8-14(23-13)15-11-7-10(16-19-21-22-20-16)5-6-12(11)17-18-15/h1-8H,(H,17,18)(H,19,20,21,22)
InChIKeyQXGCZVKUJPAXTG-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.16
Rot. Bonds2

About 3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole

3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole (PubChem CID 22479907) has the molecular formula C16H10N6O and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole
PubChem CID22479907
Molecular FormulaC16H10N6O
Molecular Weight302.30 g/mol
Exact Mass302.09
IUPAC Name3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole
SMILESc1ccc2oc(-c3n[nH]c4ccc(-c5nn[nH]n5)cc34)cc2c1
InChIInChI=1S/C16H10N6O/c1-2-4-13-9(3-1)8-14(23-13)15-11-7-10(16-19-21-22-20-16)5-6-12(11)17-18-15/h1-8H,(H,17,18)(H,19,20,21,22)
InChIKeyQXGCZVKUJPAXTG-UHFFFAOYSA-N
XLogP3.16
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole?
The IUPAC name of 3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole (CID 22479907) is 3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole is c1ccc2oc(-c3n[nH]c4ccc(-c5nn[nH]n5)cc34)cc2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole?
The InChIKey is QXGCZVKUJPAXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6O/c1-2-4-13-9(3-1)8-14(23-13)15-11-7-10(16-19-21-22-20-16)5-6-12(11)17-18-15/h1-8H,(H,17,18)(H,19,20,21,22).
What are the key properties of 3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole?
3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole has a molecular weight of 302.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole is sourced from PubChem (CID 22479907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).