5-(4-ethoxyphenyl)-2H-tetrazole

C9H10N4O — CID 647263

IUPAC5-(4-ethoxyphenyl)-2H-tetrazole
SMILESCCOc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N4O/c1-2-14-8-5-3-7(4-6-8)9-10-12-13-11-9/h3-6H,2H2,1H3,(H,10,11,12,13)
InChIKeyUGEDNALQDLACLM-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.27
Rot. Bonds3

About 5-(4-ethoxyphenyl)-2H-tetrazole

5-(4-ethoxyphenyl)-2H-tetrazole (PubChem CID 647263) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-2H-tetrazole
PubChem CID647263
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name5-(4-ethoxyphenyl)-2H-tetrazole
SMILESCCOc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N4O/c1-2-14-8-5-3-7(4-6-8)9-10-12-13-11-9/h3-6H,2H2,1H3,(H,10,11,12,13)
InChIKeyUGEDNALQDLACLM-UHFFFAOYSA-N
XLogP1.27
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-2H-tetrazole?
The IUPAC name of 5-(4-ethoxyphenyl)-2H-tetrazole (CID 647263) is 5-(4-ethoxyphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(4-ethoxyphenyl)-2H-tetrazole?
The canonical SMILES for 5-(4-ethoxyphenyl)-2H-tetrazole is CCOc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-2H-tetrazole?
The InChIKey is UGEDNALQDLACLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-2-14-8-5-3-7(4-6-8)9-10-12-13-11-9/h3-6H,2H2,1H3,(H,10,11,12,13).
What are the key properties of 5-(4-ethoxyphenyl)-2H-tetrazole?
5-(4-ethoxyphenyl)-2H-tetrazole has a molecular weight of 190.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-2H-tetrazole is sourced from PubChem (CID 647263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).