2-ethylbenzotriazole

C8H9N3 — CID 590090

IUPAC2-ethylbenzotriazole
SMILESCCn1nc2ccccc2n1
InChIInChI=1S/C8H9N3/c1-2-11-9-7-5-3-4-6-8(7)10-11/h3-6H,2H2,1H3
InChIKeySLABSMWKISCOCW-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.45
Rot. Bonds1

About 2-ethylbenzotriazole

2-ethylbenzotriazole (PubChem CID 590090) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-ethylbenzotriazole.

Molecular Properties

Compound Name2-ethylbenzotriazole
PubChem CID590090
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-ethylbenzotriazole
SMILESCCn1nc2ccccc2n1
InChIInChI=1S/C8H9N3/c1-2-11-9-7-5-3-4-6-8(7)10-11/h3-6H,2H2,1H3
InChIKeySLABSMWKISCOCW-UHFFFAOYSA-N
XLogP1.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylbenzotriazole?
The IUPAC name of 2-ethylbenzotriazole (CID 590090) is 2-ethylbenzotriazole.
What is the SMILES notation for 2-ethylbenzotriazole?
The canonical SMILES for 2-ethylbenzotriazole is CCn1nc2ccccc2n1.
What is the InChIKey of 2-ethylbenzotriazole?
The InChIKey is SLABSMWKISCOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-2-11-9-7-5-3-4-6-8(7)10-11/h3-6H,2H2,1H3.
What are the key properties of 2-ethylbenzotriazole?
2-ethylbenzotriazole has a molecular weight of 147.18 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbenzotriazole is sourced from PubChem (CID 590090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).