5-(3-methylfuran-2-yl)-2H-tetrazole

C6H6N4O — CID 69188798

IUPAC5-(3-methylfuran-2-yl)-2H-tetrazole
SMILESCc1ccoc1-c1nn[nH]n1
InChIInChI=1S/C6H6N4O/c1-4-2-3-11-5(4)6-7-9-10-8-6/h2-3H,1H3,(H,7,8,9,10)
InChIKeyRYFUISLMVUKALK-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.77
Rot. Bonds1

About 5-(3-methylfuran-2-yl)-2H-tetrazole

5-(3-methylfuran-2-yl)-2H-tetrazole (PubChem CID 69188798) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 5-(3-methylfuran-2-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-methylfuran-2-yl)-2H-tetrazole
PubChem CID69188798
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name5-(3-methylfuran-2-yl)-2H-tetrazole
SMILESCc1ccoc1-c1nn[nH]n1
InChIInChI=1S/C6H6N4O/c1-4-2-3-11-5(4)6-7-9-10-8-6/h2-3H,1H3,(H,7,8,9,10)
InChIKeyRYFUISLMVUKALK-UHFFFAOYSA-N
XLogP0.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylfuran-2-yl)-2H-tetrazole?
The IUPAC name of 5-(3-methylfuran-2-yl)-2H-tetrazole (CID 69188798) is 5-(3-methylfuran-2-yl)-2H-tetrazole.
What is the SMILES notation for 5-(3-methylfuran-2-yl)-2H-tetrazole?
The canonical SMILES for 5-(3-methylfuran-2-yl)-2H-tetrazole is Cc1ccoc1-c1nn[nH]n1.
What is the InChIKey of 5-(3-methylfuran-2-yl)-2H-tetrazole?
The InChIKey is RYFUISLMVUKALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-4-2-3-11-5(4)6-7-9-10-8-6/h2-3H,1H3,(H,7,8,9,10).
What are the key properties of 5-(3-methylfuran-2-yl)-2H-tetrazole?
5-(3-methylfuran-2-yl)-2H-tetrazole has a molecular weight of 150.14 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylfuran-2-yl)-2H-tetrazole is sourced from PubChem (CID 69188798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).