2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole

C13H18N4O — CID 67057172

IUPAC2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole
SMILESCOc1ccc(C)cc1-c1nnn(C(C)(C)C)n1
InChIInChI=1S/C13H18N4O/c1-9-6-7-11(18-5)10(8-9)12-14-16-17(15-12)13(2,3)4/h6-8H,1-5H3
InChIKeyWTRZAUAJWBUFDC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.41
Rot. Bonds2

About 2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole

2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole (PubChem CID 67057172) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole
PubChem CID67057172
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole
SMILESCOc1ccc(C)cc1-c1nnn(C(C)(C)C)n1
InChIInChI=1S/C13H18N4O/c1-9-6-7-11(18-5)10(8-9)12-14-16-17(15-12)13(2,3)4/h6-8H,1-5H3
InChIKeyWTRZAUAJWBUFDC-UHFFFAOYSA-N
XLogP2.41
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole?
The IUPAC name of 2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole (CID 67057172) is 2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole.
What is the SMILES notation for 2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole?
The canonical SMILES for 2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole is COc1ccc(C)cc1-c1nnn(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole?
The InChIKey is WTRZAUAJWBUFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-6-7-11(18-5)10(8-9)12-14-16-17(15-12)13(2,3)4/h6-8H,1-5H3.
What are the key properties of 2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole?
2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole has a molecular weight of 246.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-methoxy-5-methylphenyl)tetrazole is sourced from PubChem (CID 67057172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).