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

C11H14N4O — CID 657685

IUPAC5-[(4-propoxyphenyl)methyl]-2H-tetrazole
SMILESCCCOc1ccc(Cc2nn[nH]n2)cc1
InChIInChI=1S/C11H14N4O/c1-2-7-16-10-5-3-9(4-6-10)8-11-12-14-15-13-11/h3-6H,2,7-8H2,1H3,(H,12,13,14,15)
InChIKeyWJFFVRKEYQCYMV-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.58
Rot. Bonds5

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

5-[(4-propoxyphenyl)methyl]-2H-tetrazole (PubChem CID 657685) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[(4-propoxyphenyl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(4-propoxyphenyl)methyl]-2H-tetrazole
PubChem CID657685
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-[(4-propoxyphenyl)methyl]-2H-tetrazole
SMILESCCCOc1ccc(Cc2nn[nH]n2)cc1
InChIInChI=1S/C11H14N4O/c1-2-7-16-10-5-3-9(4-6-10)8-11-12-14-15-13-11/h3-6H,2,7-8H2,1H3,(H,12,13,14,15)
InChIKeyWJFFVRKEYQCYMV-UHFFFAOYSA-N
XLogP1.58
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-propoxyphenyl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(4-propoxyphenyl)methyl]-2H-tetrazole (CID 657685) is 5-[(4-propoxyphenyl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(4-propoxyphenyl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(4-propoxyphenyl)methyl]-2H-tetrazole is CCCOc1ccc(Cc2nn[nH]n2)cc1.
What is the InChIKey of 5-[(4-propoxyphenyl)methyl]-2H-tetrazole?
The InChIKey is WJFFVRKEYQCYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-7-16-10-5-3-9(4-6-10)8-11-12-14-15-13-11/h3-6H,2,7-8H2,1H3,(H,12,13,14,15).
What are the key properties of 5-[(4-propoxyphenyl)methyl]-2H-tetrazole?
5-[(4-propoxyphenyl)methyl]-2H-tetrazole has a molecular weight of 218.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propoxyphenyl)methyl]-2H-tetrazole is sourced from PubChem (CID 657685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).