5-(1-benzofuran-2-yl)-1-methyltetrazole

C10H8N4O — CID 57215043

IUPAC5-(1-benzofuran-2-yl)-1-methyltetrazole
SMILESCn1nnnc1-c1cc2ccccc2o1
InChIInChI=1S/C10H8N4O/c1-14-10(11-12-13-14)9-6-7-4-2-3-5-8(7)15-9/h2-6H,1H3
InChIKeyAYJRAZRFAGQZNM-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.62
Rot. Bonds1

About 5-(1-benzofuran-2-yl)-1-methyltetrazole

5-(1-benzofuran-2-yl)-1-methyltetrazole (PubChem CID 57215043) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-1-methyltetrazole
PubChem CID57215043
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name5-(1-benzofuran-2-yl)-1-methyltetrazole
SMILESCn1nnnc1-c1cc2ccccc2o1
InChIInChI=1S/C10H8N4O/c1-14-10(11-12-13-14)9-6-7-4-2-3-5-8(7)15-9/h2-6H,1H3
InChIKeyAYJRAZRFAGQZNM-UHFFFAOYSA-N
XLogP1.62
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(1-benzofuran-2-yl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 115429084
3-[5-(1-benzofuran-2-yl)tetrazol-1-yl]butanoic acid
CID 66041230
3-[5-(1-benzofuran-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66047223
3-(1-methyltetrazol-5-yl)sulfanylchromen-2-one
CID 134065334
2-(5-methylthiophen-2-yl)-1-benzofuran
CID 24744243
4,7-bis(1-benzofuran-2-yl)-2,9-dimethyl-1,10-phenanthroline
CID 177473351
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121
3-(1-benzofuran-2-yl)-5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 126336194
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
5-(1-benzofuran-2-yl)-2-methylpyridine
CID 146179500
2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine
CID 114734051
5-[2-(5-methyl-1-benzofuran-2-yl)phenyl]-1-trityltetrazole
CID 67880869

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-1-methyltetrazole?
The IUPAC name of 5-(1-benzofuran-2-yl)-1-methyltetrazole (CID 57215043) is 5-(1-benzofuran-2-yl)-1-methyltetrazole.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-1-methyltetrazole?
The canonical SMILES for 5-(1-benzofuran-2-yl)-1-methyltetrazole is Cn1nnnc1-c1cc2ccccc2o1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-1-methyltetrazole?
The InChIKey is AYJRAZRFAGQZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-14-10(11-12-13-14)9-6-7-4-2-3-5-8(7)15-9/h2-6H,1H3.
What are the key properties of 5-(1-benzofuran-2-yl)-1-methyltetrazole?
5-(1-benzofuran-2-yl)-1-methyltetrazole has a molecular weight of 200.20 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-1-methyltetrazole is sourced from PubChem (CID 57215043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).