2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole

C16H16N4O2 — CID 842833

IUPAC2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole
SMILESCOc1ccc(-c2nnn(Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C16H16N4O2/c1-21-14-9-8-13(10-15(14)22-2)16-17-19-20(18-16)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyZZHCVBLOTYKJRE-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.41
Rot. Bonds5

About 2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole

2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole (PubChem CID 842833) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole.

Molecular Properties

Compound Name2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole
PubChem CID842833
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole
SMILESCOc1ccc(-c2nnn(Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C16H16N4O2/c1-21-14-9-8-13(10-15(14)22-2)16-17-19-20(18-16)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyZZHCVBLOTYKJRE-UHFFFAOYSA-N
XLogP2.41
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole with MolForge

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

Launch Full Analysis

Related Compounds

2H-Tetrazole-2-propanenitrile, 5-(4-(phenylmethoxy)phenyl)-
CID 3076090
5-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazole
CID 601291
2-[5-(4-Methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
CID 83535370
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-isopropyl-2H-tetrazole
CID 2223801
2-(2-Fluoro-benzyl)-5-(4-methoxy-phenyl)-2H-tetrazole
CID 573142
[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]acetonitrile
CID 605082
2-(3,4-diethoxybenzyl)-5-[4-(methylsulfonyl)phenyl]-2H-tetrazole
CID 1262142
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-methyl-2H-tetrazole
CID 748005
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488
2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-1-phenyl-ethanone
CID 649972
[5-(4-Benzyloxy-3-methoxy-phenyl)-tetrazol-2-yl]-acetonitrile
CID 650154
1-[5-(4'-Methoxy-biphenyl-4-yl)-tetrazol-2-yl]-propan-2-one
CID 653064

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole?
The IUPAC name of 2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole (CID 842833) is 2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole.
What is the SMILES notation for 2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole?
The canonical SMILES for 2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole is COc1ccc(-c2nnn(Cc3ccccc3)n2)cc1OC.
What is the InChIKey of 2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole?
The InChIKey is ZZHCVBLOTYKJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-21-14-9-8-13(10-15(14)22-2)16-17-19-20(18-16)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of 2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole?
2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole has a molecular weight of 296.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(3,4-dimethoxyphenyl)tetrazole is sourced from PubChem (CID 842833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).