5-(2,4-dimethoxyphenyl)-2H-tetrazole

C9H10N4O2 — CID 82077250

IUPAC5-(2,4-dimethoxyphenyl)-2H-tetrazole
SMILESCOc1ccc(-c2nn[nH]n2)c(OC)c1
InChIInChI=1S/C9H10N4O2/c1-14-6-3-4-7(8(5-6)15-2)9-10-12-13-11-9/h3-5H,1-2H3,(H,10,11,12,13)
InChIKeyYGYFTAYTRVANAX-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.88
Rot. Bonds3

About 5-(2,4-dimethoxyphenyl)-2H-tetrazole

5-(2,4-dimethoxyphenyl)-2H-tetrazole (PubChem CID 82077250) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-2H-tetrazole
PubChem CID82077250
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name5-(2,4-dimethoxyphenyl)-2H-tetrazole
SMILESCOc1ccc(-c2nn[nH]n2)c(OC)c1
InChIInChI=1S/C9H10N4O2/c1-14-6-3-4-7(8(5-6)15-2)9-10-12-13-11-9/h3-5H,1-2H3,(H,10,11,12,13)
InChIKeyYGYFTAYTRVANAX-UHFFFAOYSA-N
XLogP0.88
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline
CID 135372809
5-(2,6-dimethoxyphenyl)-2H-tetrazole
CID 10726952
5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate
CID 22010194
N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
CID 171350497
5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole
CID 61336548
5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine
CID 116823727
3-(2,4-dimethoxyphenyl)pyridazine
CID 90984808
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
[2-(2,4-dimethoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63560270
2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxypyrimidin-5-amine
CID 22324338
4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine
CID 43557702
4-chloro-2-(2,4-dimethoxyphenyl)-6-ethyl-5-methylpyrimidine
CID 63549144

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-2H-tetrazole?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-2H-tetrazole (CID 82077250) is 5-(2,4-dimethoxyphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-2H-tetrazole?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-2H-tetrazole is COc1ccc(-c2nn[nH]n2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-2H-tetrazole?
The InChIKey is YGYFTAYTRVANAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-14-6-3-4-7(8(5-6)15-2)9-10-12-13-11-9/h3-5H,1-2H3,(H,10,11,12,13).
What are the key properties of 5-(2,4-dimethoxyphenyl)-2H-tetrazole?
5-(2,4-dimethoxyphenyl)-2H-tetrazole has a molecular weight of 206.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-2H-tetrazole is sourced from PubChem (CID 82077250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).