1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole

C13H18N4O — CID 90209171

IUPAC1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole
SMILESCOc1ccc(C(C)(C)C)cc1-n1nnnc1C
InChIInChI=1S/C13H18N4O/c1-9-14-15-16-17(9)11-8-10(13(2,3)4)6-7-12(11)18-5/h6-8H,1-5H3
InChIKeyABOVGCPIKUTRJQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.28
Rot. Bonds2

About 1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole

1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole (PubChem CID 90209171) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole
PubChem CID90209171
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole
SMILESCOc1ccc(C(C)(C)C)cc1-n1nnnc1C
InChIInChI=1S/C13H18N4O/c1-9-14-15-16-17(9)11-8-10(13(2,3)4)6-7-12(11)18-5/h6-8H,1-5H3
InChIKeyABOVGCPIKUTRJQ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole (CID 90209171) is 1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole is COc1ccc(C(C)(C)C)cc1-n1nnnc1C.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole?
The InChIKey is ABOVGCPIKUTRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-14-15-16-17(9)11-8-10(13(2,3)4)6-7-12(11)18-5/h6-8H,1-5H3.
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole?
1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole has a molecular weight of 246.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)-5-methyltetrazole is sourced from PubChem (CID 90209171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).