5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole

C10H12N4O2 — CID 684046

IUPAC5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
SMILESCOc1ccc(Cc2nn[nH]n2)cc1OC
InChIInChI=1S/C10H12N4O2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11-13-14-12-10/h3-5H,6H2,1-2H3,(H,11,12,13,14)
InChIKeyJXOSKEXCJPFKGR-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.81
Rot. Bonds4

About 5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole

5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole (PubChem CID 684046) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
PubChem CID684046
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
SMILESCOc1ccc(Cc2nn[nH]n2)cc1OC
InChIInChI=1S/C10H12N4O2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11-13-14-12-10/h3-5H,6H2,1-2H3,(H,11,12,13,14)
InChIKeyJXOSKEXCJPFKGR-UHFFFAOYSA-N
XLogP0.81
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole
CID 82126586
[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 79601139
5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole
CID 46318449
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine
CID 60864984
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,2,4-oxadiazol-5-amine
CID 55096339
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine
CID 60995827
5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
1,2-dimethoxy-4-(methylsulfanylmethyl)benzene
CID 12637716
5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole
CID 95452442
2-[(3,4-dimethoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 62192366
5-[[5-(2,5-dichlorophenyl)-2-methoxyphenyl]methyl]-2H-tetrazole
CID 154788580

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole (CID 684046) is 5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole is COc1ccc(Cc2nn[nH]n2)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole?
The InChIKey is JXOSKEXCJPFKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11-13-14-12-10/h3-5H,6H2,1-2H3,(H,11,12,13,14).
What are the key properties of 5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole?
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole has a molecular weight of 220.23 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole is sourced from PubChem (CID 684046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).