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

C6H6N4O — CID 676428

IUPAC5-(furan-2-yl)-1-methyltetrazole
SMILESCn1nnnc1-c1ccco1
InChIInChI=1S/C6H6N4O/c1-10-6(7-8-9-10)5-3-2-4-11-5/h2-4H,1H3
InChIKeyRPXQFZUOZUSVTD-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.47
Rot. Bonds1

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

5-(furan-2-yl)-1-methyltetrazole (PubChem CID 676428) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-1-methyltetrazole
PubChem CID676428
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name5-(furan-2-yl)-1-methyltetrazole
SMILESCn1nnnc1-c1ccco1
InChIInChI=1S/C6H6N4O/c1-10-6(7-8-9-10)5-3-2-4-11-5/h2-4H,1H3
InChIKeyRPXQFZUOZUSVTD-UHFFFAOYSA-N
XLogP0.47
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-methyltetrazole?
The IUPAC name of 5-(furan-2-yl)-1-methyltetrazole (CID 676428) is 5-(furan-2-yl)-1-methyltetrazole.
What is the SMILES notation for 5-(furan-2-yl)-1-methyltetrazole?
The canonical SMILES for 5-(furan-2-yl)-1-methyltetrazole is Cn1nnnc1-c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-1-methyltetrazole?
The InChIKey is RPXQFZUOZUSVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-10-6(7-8-9-10)5-3-2-4-11-5/h2-4H,1H3.
What are the key properties of 5-(furan-2-yl)-1-methyltetrazole?
5-(furan-2-yl)-1-methyltetrazole has a molecular weight of 150.14 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-methyltetrazole is sourced from PubChem (CID 676428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).