4-ethyl-1-phenyltriazole

C10H11N3 — CID 53244246

IUPAC4-ethyl-1-phenyltriazole
SMILESCCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C10H11N3/c1-2-9-8-13(12-11-9)10-6-4-3-5-7-10/h3-8H,2H2,1H3
InChIKeyJIHFLRWZBPPLLH-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.83
Rot. Bonds2

About 4-ethyl-1-phenyltriazole

4-ethyl-1-phenyltriazole (PubChem CID 53244246) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-ethyl-1-phenyltriazole.

Molecular Properties

Compound Name4-ethyl-1-phenyltriazole
PubChem CID53244246
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-ethyl-1-phenyltriazole
SMILESCCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C10H11N3/c1-2-9-8-13(12-11-9)10-6-4-3-5-7-10/h3-8H,2H2,1H3
InChIKeyJIHFLRWZBPPLLH-UHFFFAOYSA-N
XLogP1.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-phenyltriazole?
The IUPAC name of 4-ethyl-1-phenyltriazole (CID 53244246) is 4-ethyl-1-phenyltriazole.
What is the SMILES notation for 4-ethyl-1-phenyltriazole?
The canonical SMILES for 4-ethyl-1-phenyltriazole is CCc1cn(-c2ccccc2)nn1.
What is the InChIKey of 4-ethyl-1-phenyltriazole?
The InChIKey is JIHFLRWZBPPLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-9-8-13(12-11-9)10-6-4-3-5-7-10/h3-8H,2H2,1H3.
What are the key properties of 4-ethyl-1-phenyltriazole?
4-ethyl-1-phenyltriazole has a molecular weight of 173.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-phenyltriazole is sourced from PubChem (CID 53244246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).