5-(5-ethylfuran-2-yl)-2H-tetrazole

C7H8N4O — CID 20770528

IUPAC5-(5-ethylfuran-2-yl)-2H-tetrazole
SMILESCCc1ccc(-c2nn[nH]n2)o1
InChIInChI=1S/C7H8N4O/c1-2-5-3-4-6(12-5)7-8-10-11-9-7/h3-4H,2H2,1H3,(H,8,9,10,11)
InChIKeyRTCMOVQPDGBBRR-UHFFFAOYSA-N
MW164.17 g/mol
LogP1.02
Rot. Bonds2

About 5-(5-ethylfuran-2-yl)-2H-tetrazole

5-(5-ethylfuran-2-yl)-2H-tetrazole (PubChem CID 20770528) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 5-(5-ethylfuran-2-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(5-ethylfuran-2-yl)-2H-tetrazole
PubChem CID20770528
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name5-(5-ethylfuran-2-yl)-2H-tetrazole
SMILESCCc1ccc(-c2nn[nH]n2)o1
InChIInChI=1S/C7H8N4O/c1-2-5-3-4-6(12-5)7-8-10-11-9-7/h3-4H,2H2,1H3,(H,8,9,10,11)
InChIKeyRTCMOVQPDGBBRR-UHFFFAOYSA-N
XLogP1.02
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylfuran-2-yl)-2H-tetrazole?
The IUPAC name of 5-(5-ethylfuran-2-yl)-2H-tetrazole (CID 20770528) is 5-(5-ethylfuran-2-yl)-2H-tetrazole.
What is the SMILES notation for 5-(5-ethylfuran-2-yl)-2H-tetrazole?
The canonical SMILES for 5-(5-ethylfuran-2-yl)-2H-tetrazole is CCc1ccc(-c2nn[nH]n2)o1.
What is the InChIKey of 5-(5-ethylfuran-2-yl)-2H-tetrazole?
The InChIKey is RTCMOVQPDGBBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-2-5-3-4-6(12-5)7-8-10-11-9-7/h3-4H,2H2,1H3,(H,8,9,10,11).
What are the key properties of 5-(5-ethylfuran-2-yl)-2H-tetrazole?
5-(5-ethylfuran-2-yl)-2H-tetrazole has a molecular weight of 164.17 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylfuran-2-yl)-2H-tetrazole is sourced from PubChem (CID 20770528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).