5-ethyl-1-methylbenzotriazole

C9H11N3 — CID 20678691

IUPAC5-ethyl-1-methylbenzotriazole
SMILESCCc1ccc2c(c1)nnn2C
InChIInChI=1S/C9H11N3/c1-3-7-4-5-9-8(6-7)10-11-12(9)2/h4-6H,3H2,1-2H3
InChIKeyJGTQLUTZLMAJIQ-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.53
Rot. Bonds1

About 5-ethyl-1-methylbenzotriazole

5-ethyl-1-methylbenzotriazole (PubChem CID 20678691) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 5-ethyl-1-methylbenzotriazole.

Molecular Properties

Compound Name5-ethyl-1-methylbenzotriazole
PubChem CID20678691
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name5-ethyl-1-methylbenzotriazole
SMILESCCc1ccc2c(c1)nnn2C
InChIInChI=1S/C9H11N3/c1-3-7-4-5-9-8(6-7)10-11-12(9)2/h4-6H,3H2,1-2H3
InChIKeyJGTQLUTZLMAJIQ-UHFFFAOYSA-N
XLogP1.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methylbenzotriazole?
The IUPAC name of 5-ethyl-1-methylbenzotriazole (CID 20678691) is 5-ethyl-1-methylbenzotriazole.
What is the SMILES notation for 5-ethyl-1-methylbenzotriazole?
The canonical SMILES for 5-ethyl-1-methylbenzotriazole is CCc1ccc2c(c1)nnn2C.
What is the InChIKey of 5-ethyl-1-methylbenzotriazole?
The InChIKey is JGTQLUTZLMAJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-3-7-4-5-9-8(6-7)10-11-12(9)2/h4-6H,3H2,1-2H3.
What are the key properties of 5-ethyl-1-methylbenzotriazole?
5-ethyl-1-methylbenzotriazole has a molecular weight of 161.21 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methylbenzotriazole is sourced from PubChem (CID 20678691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).