1-tert-butyl-5-methoxybenzotriazole

C11H15N3O — CID 134294764

IUPAC1-tert-butyl-5-methoxybenzotriazole
SMILESCOc1ccc2c(c1)nnn2C(C)(C)C
InChIInChI=1S/C11H15N3O/c1-11(2,3)14-10-6-5-8(15-4)7-9(10)12-13-14/h5-7H,1-4H3
InChIKeyUEGCDYWJHZRCNV-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.19
Rot. Bonds1

About 1-tert-butyl-5-methoxybenzotriazole

1-tert-butyl-5-methoxybenzotriazole (PubChem CID 134294764) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-tert-butyl-5-methoxybenzotriazole.

Molecular Properties

Compound Name1-tert-butyl-5-methoxybenzotriazole
PubChem CID134294764
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-tert-butyl-5-methoxybenzotriazole
SMILESCOc1ccc2c(c1)nnn2C(C)(C)C
InChIInChI=1S/C11H15N3O/c1-11(2,3)14-10-6-5-8(15-4)7-9(10)12-13-14/h5-7H,1-4H3
InChIKeyUEGCDYWJHZRCNV-UHFFFAOYSA-N
XLogP2.19
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-tert-butylbenzotriazol-5-yl) formate
CID 158793410
CID 101485462
CID 101485462
2-(5-methoxybenzotriazol-1-yl)acetaldehyde
CID 83829654
(1S)-1-[4-(5-methoxybenzotriazol-1-yl)phenyl]ethanamine
CID 164599725
ethyl 4-(5-methoxybenzotriazol-1-yl)butanoate
CID 155778318
3-fluoro-4-(5-methoxybenzotriazol-1-yl)benzoic acid
CID 169099382
1-tert-butyl-6-methoxybenzimidazole
CID 21460432
ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate
CID 102097625
(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
1-(1-methoxy-2-methylpropan-2-yl)benzotriazole-5-carboxylic acid
CID 113470525
5-methoxy-1-oxidobenzimidazole
CID 87206335

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methoxybenzotriazole?
The IUPAC name of 1-tert-butyl-5-methoxybenzotriazole (CID 134294764) is 1-tert-butyl-5-methoxybenzotriazole.
What is the SMILES notation for 1-tert-butyl-5-methoxybenzotriazole?
The canonical SMILES for 1-tert-butyl-5-methoxybenzotriazole is COc1ccc2c(c1)nnn2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methoxybenzotriazole?
The InChIKey is UEGCDYWJHZRCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(2,3)14-10-6-5-8(15-4)7-9(10)12-13-14/h5-7H,1-4H3.
What are the key properties of 1-tert-butyl-5-methoxybenzotriazole?
1-tert-butyl-5-methoxybenzotriazole has a molecular weight of 205.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methoxybenzotriazole is sourced from PubChem (CID 134294764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).