5-(phenoxymethyl)-1-phenyltetrazole

C14H12N4O — CID 2969379

IUPAC5-(phenoxymethyl)-1-phenyltetrazole
SMILESc1ccc(OCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C14H12N4O/c1-3-7-12(8-4-1)18-14(15-16-17-18)11-19-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyKRYHCNMBYSZHGY-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.24
Rot. Bonds4

About 5-(phenoxymethyl)-1-phenyltetrazole

5-(phenoxymethyl)-1-phenyltetrazole (PubChem CID 2969379) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-(phenoxymethyl)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(phenoxymethyl)-1-phenyltetrazole
PubChem CID2969379
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-(phenoxymethyl)-1-phenyltetrazole
SMILESc1ccc(OCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C14H12N4O/c1-3-7-12(8-4-1)18-14(15-16-17-18)11-19-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyKRYHCNMBYSZHGY-UHFFFAOYSA-N
XLogP2.24
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-1-phenyltetrazole?
The IUPAC name of 5-(phenoxymethyl)-1-phenyltetrazole (CID 2969379) is 5-(phenoxymethyl)-1-phenyltetrazole.
What is the SMILES notation for 5-(phenoxymethyl)-1-phenyltetrazole?
The canonical SMILES for 5-(phenoxymethyl)-1-phenyltetrazole is c1ccc(OCc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 5-(phenoxymethyl)-1-phenyltetrazole?
The InChIKey is KRYHCNMBYSZHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-3-7-12(8-4-1)18-14(15-16-17-18)11-19-13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 5-(phenoxymethyl)-1-phenyltetrazole?
5-(phenoxymethyl)-1-phenyltetrazole has a molecular weight of 252.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-1-phenyltetrazole is sourced from PubChem (CID 2969379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).