5-methoxy-5-phenyltetrazole

C8H8N4O — CID 57007998

IUPAC5-methoxy-5-phenyltetrazole
SMILESCOC1(c2ccccc2)N=NN=N1
InChIInChI=1S/C8H8N4O/c1-13-8(9-11-12-10-8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyUVDYUWOYSSYHEV-UHFFFAOYSA-N
MW176.18 g/mol
LogP2.28
Rot. Bonds2

About 5-methoxy-5-phenyltetrazole

5-methoxy-5-phenyltetrazole (PubChem CID 57007998) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-methoxy-5-phenyltetrazole.

Molecular Properties

Compound Name5-methoxy-5-phenyltetrazole
PubChem CID57007998
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name5-methoxy-5-phenyltetrazole
SMILESCOC1(c2ccccc2)N=NN=N1
InChIInChI=1S/C8H8N4O/c1-13-8(9-11-12-10-8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyUVDYUWOYSSYHEV-UHFFFAOYSA-N
XLogP2.28
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-phenyltetrazole?
The IUPAC name of 5-methoxy-5-phenyltetrazole (CID 57007998) is 5-methoxy-5-phenyltetrazole.
What is the SMILES notation for 5-methoxy-5-phenyltetrazole?
The canonical SMILES for 5-methoxy-5-phenyltetrazole is COC1(c2ccccc2)N=NN=N1.
What is the InChIKey of 5-methoxy-5-phenyltetrazole?
The InChIKey is UVDYUWOYSSYHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-13-8(9-11-12-10-8)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 5-methoxy-5-phenyltetrazole?
5-methoxy-5-phenyltetrazole has a molecular weight of 176.18 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-phenyltetrazole is sourced from PubChem (CID 57007998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).