1-(4-ethoxyphenyl)tetrazole

C9H10N4O — CID 753609

IUPAC1-(4-ethoxyphenyl)tetrazole
SMILESCCOc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C9H10N4O/c1-2-14-9-5-3-8(4-6-9)13-7-10-11-12-13/h3-7H,2H2,1H3
InChIKeyWEQJMUDQTPVCMT-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.06
Rot. Bonds3

About 1-(4-ethoxyphenyl)tetrazole

1-(4-ethoxyphenyl)tetrazole (PubChem CID 753609) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)tetrazole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)tetrazole
PubChem CID753609
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-(4-ethoxyphenyl)tetrazole
SMILESCCOc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C9H10N4O/c1-2-14-9-5-3-8(4-6-9)13-7-10-11-12-13/h3-7H,2H2,1H3
InChIKeyWEQJMUDQTPVCMT-UHFFFAOYSA-N
XLogP1.06
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)tetrazole?
The IUPAC name of 1-(4-ethoxyphenyl)tetrazole (CID 753609) is 1-(4-ethoxyphenyl)tetrazole.
What is the SMILES notation for 1-(4-ethoxyphenyl)tetrazole?
The canonical SMILES for 1-(4-ethoxyphenyl)tetrazole is CCOc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)tetrazole?
The InChIKey is WEQJMUDQTPVCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-2-14-9-5-3-8(4-6-9)13-7-10-11-12-13/h3-7H,2H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)tetrazole?
1-(4-ethoxyphenyl)tetrazole has a molecular weight of 190.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)tetrazole is sourced from PubChem (CID 753609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).