5-(4-phenyloxan-4-yl)-2H-tetrazole

C12H14N4O — CID 63081162

IUPAC5-(4-phenyloxan-4-yl)-2H-tetrazole
SMILESc1ccc(C2(c3nn[nH]n3)CCOCC2)cc1
InChIInChI=1S/C12H14N4O/c1-2-4-10(5-3-1)12(6-8-17-9-7-12)11-13-15-16-14-11/h1-5H,6-9H2,(H,13,14,15,16)
InChIKeyYYLDFYDVYJJKIJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.30
Rot. Bonds2

About 5-(4-phenyloxan-4-yl)-2H-tetrazole

5-(4-phenyloxan-4-yl)-2H-tetrazole (PubChem CID 63081162) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-(4-phenyloxan-4-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-phenyloxan-4-yl)-2H-tetrazole
PubChem CID63081162
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-(4-phenyloxan-4-yl)-2H-tetrazole
SMILESc1ccc(C2(c3nn[nH]n3)CCOCC2)cc1
InChIInChI=1S/C12H14N4O/c1-2-4-10(5-3-1)12(6-8-17-9-7-12)11-13-15-16-14-11/h1-5H,6-9H2,(H,13,14,15,16)
InChIKeyYYLDFYDVYJJKIJ-UHFFFAOYSA-N
XLogP1.30
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenyloxan-4-yl)-2H-tetrazole?
The IUPAC name of 5-(4-phenyloxan-4-yl)-2H-tetrazole (CID 63081162) is 5-(4-phenyloxan-4-yl)-2H-tetrazole.
What is the SMILES notation for 5-(4-phenyloxan-4-yl)-2H-tetrazole?
The canonical SMILES for 5-(4-phenyloxan-4-yl)-2H-tetrazole is c1ccc(C2(c3nn[nH]n3)CCOCC2)cc1.
What is the InChIKey of 5-(4-phenyloxan-4-yl)-2H-tetrazole?
The InChIKey is YYLDFYDVYJJKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-4-10(5-3-1)12(6-8-17-9-7-12)11-13-15-16-14-11/h1-5H,6-9H2,(H,13,14,15,16).
What are the key properties of 5-(4-phenyloxan-4-yl)-2H-tetrazole?
5-(4-phenyloxan-4-yl)-2H-tetrazole has a molecular weight of 230.27 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenyloxan-4-yl)-2H-tetrazole is sourced from PubChem (CID 63081162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).