5-[(4-ethoxyphenyl)methyl]-2H-tetrazole

C10H12N4O — CID 654997

IUPAC5-[(4-ethoxyphenyl)methyl]-2H-tetrazole
SMILESCCOc1ccc(Cc2nn[nH]n2)cc1
InChIInChI=1S/C10H12N4O/c1-2-15-9-5-3-8(4-6-9)7-10-11-13-14-12-10/h3-6H,2,7H2,1H3,(H,11,12,13,14)
InChIKeyAICRKWNKCUGGOF-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.19
Rot. Bonds4

About 5-[(4-ethoxyphenyl)methyl]-2H-tetrazole

5-[(4-ethoxyphenyl)methyl]-2H-tetrazole (PubChem CID 654997) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)methyl]-2H-tetrazole
PubChem CID654997
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-[(4-ethoxyphenyl)methyl]-2H-tetrazole
SMILESCCOc1ccc(Cc2nn[nH]n2)cc1
InChIInChI=1S/C10H12N4O/c1-2-15-9-5-3-8(4-6-9)7-10-11-13-14-12-10/h3-6H,2,7H2,1H3,(H,11,12,13,14)
InChIKeyAICRKWNKCUGGOF-UHFFFAOYSA-N
XLogP1.19
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(4-ethoxyphenyl)methyl]-2H-tetrazole (CID 654997) is 5-[(4-ethoxyphenyl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(4-ethoxyphenyl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(4-ethoxyphenyl)methyl]-2H-tetrazole is CCOc1ccc(Cc2nn[nH]n2)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)methyl]-2H-tetrazole?
The InChIKey is AICRKWNKCUGGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-15-9-5-3-8(4-6-9)7-10-11-13-14-12-10/h3-6H,2,7H2,1H3,(H,11,12,13,14).
What are the key properties of 5-[(4-ethoxyphenyl)methyl]-2H-tetrazole?
5-[(4-ethoxyphenyl)methyl]-2H-tetrazole has a molecular weight of 204.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)methyl]-2H-tetrazole is sourced from PubChem (CID 654997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).