5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole

C10H8N4O — CID 57037703

IUPAC5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole
SMILESCc1cc(-c2nn[nH]n2)cc2ccoc12
InChIInChI=1S/C10H8N4O/c1-6-4-8(10-11-13-14-12-10)5-7-2-3-15-9(6)7/h2-5H,1H3,(H,11,12,13,14)
InChIKeyBQSVVMFJNNIJOK-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.92
Rot. Bonds1

About 5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole

5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole (PubChem CID 57037703) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole
PubChem CID57037703
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole
SMILESCc1cc(-c2nn[nH]n2)cc2ccoc12
InChIInChI=1S/C10H8N4O/c1-6-4-8(10-11-13-14-12-10)5-7-2-3-15-9(6)7/h2-5H,1H3,(H,11,12,13,14)
InChIKeyBQSVVMFJNNIJOK-UHFFFAOYSA-N
XLogP1.92
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole?
The IUPAC name of 5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole (CID 57037703) is 5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole.
What is the SMILES notation for 5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole?
The canonical SMILES for 5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole is Cc1cc(-c2nn[nH]n2)cc2ccoc12.
What is the InChIKey of 5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole?
The InChIKey is BQSVVMFJNNIJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-6-4-8(10-11-13-14-12-10)5-7-2-3-15-9(6)7/h2-5H,1H3,(H,11,12,13,14).
What are the key properties of 5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole?
5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole has a molecular weight of 200.20 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methyl-1-benzofuran-5-yl)-2H-tetrazole is sourced from PubChem (CID 57037703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).