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

C10H12N4O — CID 6457552

IUPAC5-[(2,3-dimethylphenoxy)methyl]-2H-tetrazole
SMILESCc1cccc(OCc2nn[nH]n2)c1C
InChIInChI=1S/C10H12N4O/c1-7-4-3-5-9(8(7)2)15-6-10-11-13-14-12-10/h3-5H,6H2,1-2H3,(H,11,12,13,14)
InChIKeyXTWBMIMBYAIOPP-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.40
Rot. Bonds3

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

5-[(2,3-dimethylphenoxy)methyl]-2H-tetrazole (PubChem CID 6457552) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-[(2,3-dimethylphenoxy)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(2,3-dimethylphenoxy)methyl]-2H-tetrazole
PubChem CID6457552
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-[(2,3-dimethylphenoxy)methyl]-2H-tetrazole
SMILESCc1cccc(OCc2nn[nH]n2)c1C
InChIInChI=1S/C10H12N4O/c1-7-4-3-5-9(8(7)2)15-6-10-11-13-14-12-10/h3-5H,6H2,1-2H3,(H,11,12,13,14)
InChIKeyXTWBMIMBYAIOPP-UHFFFAOYSA-N
XLogP1.40
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-2H-tetrazole?
The IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-2H-tetrazole (CID 6457552) is 5-[(2,3-dimethylphenoxy)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(2,3-dimethylphenoxy)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(2,3-dimethylphenoxy)methyl]-2H-tetrazole is Cc1cccc(OCc2nn[nH]n2)c1C.
What is the InChIKey of 5-[(2,3-dimethylphenoxy)methyl]-2H-tetrazole?
The InChIKey is XTWBMIMBYAIOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-4-3-5-9(8(7)2)15-6-10-11-13-14-12-10/h3-5H,6H2,1-2H3,(H,11,12,13,14).
What are the key properties of 5-[(2,3-dimethylphenoxy)methyl]-2H-tetrazole?
5-[(2,3-dimethylphenoxy)methyl]-2H-tetrazole has a molecular weight of 204.23 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylphenoxy)methyl]-2H-tetrazole is sourced from PubChem (CID 6457552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).