5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole

C12H18N8O — CID 164998568

IUPAC5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole
SMILESCC(C)c1ccc(-c2nn[nH]n2)o1.CC(C)c1nn[nH]n1
InChIInChI=1S/C8H10N4O.C4H8N4/c1-5(2)6-3-4-7(13-6)8-9-11-12-10-8;1-3(2)4-5-7-8-6-4/h3-5H,1-2H3,(H,9,10,11,12);3H,1-2H3,(H,5,6,7,8)
InChIKeyHXAJBVQHRKGUBU-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.91
Rot. Bonds3

About 5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole

5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole (PubChem CID 164998568) has the molecular formula C12H18N8O and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole.

Molecular Properties

Compound Name5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole
PubChem CID164998568
Molecular FormulaC12H18N8O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole
SMILESCC(C)c1ccc(-c2nn[nH]n2)o1.CC(C)c1nn[nH]n1
InChIInChI=1S/C8H10N4O.C4H8N4/c1-5(2)6-3-4-7(13-6)8-9-11-12-10-8;1-3(2)4-5-7-8-6-4/h3-5H,1-2H3,(H,9,10,11,12);3H,1-2H3,(H,5,6,7,8)
InChIKeyHXAJBVQHRKGUBU-UHFFFAOYSA-N
XLogP1.91
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole?
The IUPAC name of 5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole (CID 164998568) is 5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole.
What is the SMILES notation for 5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole?
The canonical SMILES for 5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole is CC(C)c1ccc(-c2nn[nH]n2)o1.CC(C)c1nn[nH]n1.
What is the InChIKey of 5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole?
The InChIKey is HXAJBVQHRKGUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O.C4H8N4/c1-5(2)6-3-4-7(13-6)8-9-11-12-10-8;1-3(2)4-5-7-8-6-4/h3-5H,1-2H3,(H,9,10,11,12);3H,1-2H3,(H,5,6,7,8).
What are the key properties of 5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole?
5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole has a molecular weight of 290.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole is sourced from PubChem (CID 164998568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).