5-(3,4-dimethoxyphenyl)-1-phenyltetrazole

C15H14N4O2 — CID 51051435

IUPAC5-(3,4-dimethoxyphenyl)-1-phenyltetrazole
SMILESCOc1ccc(-c2nnnn2-c2ccccc2)cc1OC
InChIInChI=1S/C15H14N4O2/c1-20-13-9-8-11(10-14(13)21-2)15-16-17-18-19(15)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyNHXYWLPBPWYAOK-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.35
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-1-phenyltetrazole

5-(3,4-dimethoxyphenyl)-1-phenyltetrazole (PubChem CID 51051435) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1-phenyltetrazole
PubChem CID51051435
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name5-(3,4-dimethoxyphenyl)-1-phenyltetrazole
SMILESCOc1ccc(-c2nnnn2-c2ccccc2)cc1OC
InChIInChI=1S/C15H14N4O2/c1-20-13-9-8-11(10-14(13)21-2)15-16-17-18-19(15)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyNHXYWLPBPWYAOK-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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-1-phenyltetrazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1-phenyltetrazole (CID 51051435) is 5-(3,4-dimethoxyphenyl)-1-phenyltetrazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1-phenyltetrazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1-phenyltetrazole is COc1ccc(-c2nnnn2-c2ccccc2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1-phenyltetrazole?
The InChIKey is NHXYWLPBPWYAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-20-13-9-8-11(10-14(13)21-2)15-16-17-18-19(15)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-1-phenyltetrazole?
5-(3,4-dimethoxyphenyl)-1-phenyltetrazole 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-(3,4-dimethoxyphenyl)-1-phenyltetrazole is sourced from PubChem (CID 51051435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).