5-phenoxy-1-phenyltetrazole

C13H10N4O — CID 4012347

IUPAC5-phenoxy-1-phenyltetrazole
SMILESc1ccc(Oc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C13H10N4O/c1-3-7-11(8-4-1)17-13(14-15-16-17)18-12-9-5-2-6-10-12/h1-10H
InChIKeyKSWLKYXWBNWXIP-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.45
Rot. Bonds3

About 5-phenoxy-1-phenyltetrazole

5-phenoxy-1-phenyltetrazole (PubChem CID 4012347) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-phenoxy-1-phenyltetrazole.

Molecular Properties

Compound Name5-phenoxy-1-phenyltetrazole
PubChem CID4012347
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name5-phenoxy-1-phenyltetrazole
SMILESc1ccc(Oc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C13H10N4O/c1-3-7-11(8-4-1)17-13(14-15-16-17)18-12-9-5-2-6-10-12/h1-10H
InChIKeyKSWLKYXWBNWXIP-UHFFFAOYSA-N
XLogP2.45
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-1-phenyltetrazole?
The IUPAC name of 5-phenoxy-1-phenyltetrazole (CID 4012347) is 5-phenoxy-1-phenyltetrazole.
What is the SMILES notation for 5-phenoxy-1-phenyltetrazole?
The canonical SMILES for 5-phenoxy-1-phenyltetrazole is c1ccc(Oc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 5-phenoxy-1-phenyltetrazole?
The InChIKey is KSWLKYXWBNWXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c1-3-7-11(8-4-1)17-13(14-15-16-17)18-12-9-5-2-6-10-12/h1-10H.
What are the key properties of 5-phenoxy-1-phenyltetrazole?
5-phenoxy-1-phenyltetrazole has a molecular weight of 238.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-1-phenyltetrazole is sourced from PubChem (CID 4012347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).