5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole

C15H14N4O2 — CID 649149

IUPAC5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-n2nnnc2-c2cccc(OC)c2)cc1
InChIInChI=1S/C15H14N4O2/c1-20-13-8-6-12(7-9-13)19-15(16-17-18-19)11-4-3-5-14(10-11)21-2/h3-10H,1-2H3
InChIKeyQLECRJJRHFSNEX-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.35
Rot. Bonds4

About 5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole

5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole (PubChem CID 649149) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole
PubChem CID649149
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-n2nnnc2-c2cccc(OC)c2)cc1
InChIInChI=1S/C15H14N4O2/c1-20-13-8-6-12(7-9-13)19-15(16-17-18-19)11-4-3-5-14(10-11)21-2/h3-10H,1-2H3
InChIKeyQLECRJJRHFSNEX-UHFFFAOYSA-N
XLogP2.35
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole?
The IUPAC name of 5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole (CID 649149) is 5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole?
The canonical SMILES for 5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole is COc1ccc(-n2nnnc2-c2cccc(OC)c2)cc1.
What is the InChIKey of 5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole?
The InChIKey is QLECRJJRHFSNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-20-13-8-6-12(7-9-13)19-15(16-17-18-19)11-4-3-5-14(10-11)21-2/h3-10H,1-2H3.
What are the key properties of 5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole?
5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole has a molecular weight of 282.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1-(4-methoxyphenyl)tetrazole is sourced from PubChem (CID 649149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).