5-(1-benzofuran-5-yl)-2H-tetrazole

C9H6N4O — CID 67417342

IUPAC5-(1-benzofuran-5-yl)-2H-tetrazole
SMILESc1cc2cc(-c3nn[nH]n3)ccc2o1
InChIInChI=1S/C9H6N4O/c1-2-8-6(3-4-14-8)5-7(1)9-10-12-13-11-9/h1-5H,(H,10,11,12,13)
InChIKeyNQQTUALMBRPSBH-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.61
Rot. Bonds1

About 5-(1-benzofuran-5-yl)-2H-tetrazole

5-(1-benzofuran-5-yl)-2H-tetrazole (PubChem CID 67417342) has the molecular formula C9H6N4O and a molecular weight of 186.17 g/mol. Its IUPAC name is 5-(1-benzofuran-5-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(1-benzofuran-5-yl)-2H-tetrazole
PubChem CID67417342
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
Exact Mass186.05
IUPAC Name5-(1-benzofuran-5-yl)-2H-tetrazole
SMILESc1cc2cc(-c3nn[nH]n3)ccc2o1
InChIInChI=1S/C9H6N4O/c1-2-8-6(3-4-14-8)5-7(1)9-10-12-13-11-9/h1-5H,(H,10,11,12,13)
InChIKeyNQQTUALMBRPSBH-UHFFFAOYSA-N
XLogP1.61
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-5-yl)-2H-tetrazole?
The IUPAC name of 5-(1-benzofuran-5-yl)-2H-tetrazole (CID 67417342) is 5-(1-benzofuran-5-yl)-2H-tetrazole.
What is the SMILES notation for 5-(1-benzofuran-5-yl)-2H-tetrazole?
The canonical SMILES for 5-(1-benzofuran-5-yl)-2H-tetrazole is c1cc2cc(-c3nn[nH]n3)ccc2o1.
What is the InChIKey of 5-(1-benzofuran-5-yl)-2H-tetrazole?
The InChIKey is NQQTUALMBRPSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O/c1-2-8-6(3-4-14-8)5-7(1)9-10-12-13-11-9/h1-5H,(H,10,11,12,13).
What are the key properties of 5-(1-benzofuran-5-yl)-2H-tetrazole?
5-(1-benzofuran-5-yl)-2H-tetrazole has a molecular weight of 186.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-5-yl)-2H-tetrazole is sourced from PubChem (CID 67417342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).