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

C10H8N4O — CID 141076312

IUPAC5-(2-benzofuran-1-ylmethyl)-2H-tetrazole
SMILESc1ccc2c(Cc3nn[nH]n3)occ2c1
InChIInChI=1S/C10H8N4O/c1-2-4-8-7(3-1)6-15-9(8)5-10-11-13-14-12-10/h1-4,6H,5H2,(H,11,12,13,14)
InChIKeyCTNFJVUUNJSSAB-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.54
Rot. Bonds2

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

5-(2-benzofuran-1-ylmethyl)-2H-tetrazole (PubChem CID 141076312) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-(2-benzofuran-1-ylmethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2-benzofuran-1-ylmethyl)-2H-tetrazole
PubChem CID141076312
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name5-(2-benzofuran-1-ylmethyl)-2H-tetrazole
SMILESc1ccc2c(Cc3nn[nH]n3)occ2c1
InChIInChI=1S/C10H8N4O/c1-2-4-8-7(3-1)6-15-9(8)5-10-11-13-14-12-10/h1-4,6H,5H2,(H,11,12,13,14)
InChIKeyCTNFJVUUNJSSAB-UHFFFAOYSA-N
XLogP1.54
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-benzofuran-1-ylmethyl)-2H-tetrazole?
The IUPAC name of 5-(2-benzofuran-1-ylmethyl)-2H-tetrazole (CID 141076312) is 5-(2-benzofuran-1-ylmethyl)-2H-tetrazole.
What is the SMILES notation for 5-(2-benzofuran-1-ylmethyl)-2H-tetrazole?
The canonical SMILES for 5-(2-benzofuran-1-ylmethyl)-2H-tetrazole is c1ccc2c(Cc3nn[nH]n3)occ2c1.
What is the InChIKey of 5-(2-benzofuran-1-ylmethyl)-2H-tetrazole?
The InChIKey is CTNFJVUUNJSSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-2-4-8-7(3-1)6-15-9(8)5-10-11-13-14-12-10/h1-4,6H,5H2,(H,11,12,13,14).
What are the key properties of 5-(2-benzofuran-1-ylmethyl)-2H-tetrazole?
5-(2-benzofuran-1-ylmethyl)-2H-tetrazole has a molecular weight of 200.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzofuran-1-ylmethyl)-2H-tetrazole is sourced from PubChem (CID 141076312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).