4-(4-ethylphenyl)-1,2,4-triazole

C10H11N3 — CID 22390723

IUPAC4-(4-ethylphenyl)-1,2,4-triazole
SMILESCCc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C10H11N3/c1-2-9-3-5-10(6-4-9)13-7-11-12-8-13/h3-8H,2H2,1H3
InChIKeyKYXHMQOOYMXAJZ-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.83
Rot. Bonds2

About 4-(4-ethylphenyl)-1,2,4-triazole

4-(4-ethylphenyl)-1,2,4-triazole (PubChem CID 22390723) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-ethylphenyl)-1,2,4-triazole
PubChem CID22390723
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-(4-ethylphenyl)-1,2,4-triazole
SMILESCCc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C10H11N3/c1-2-9-3-5-10(6-4-9)13-7-11-12-8-13/h3-8H,2H2,1H3
InChIKeyKYXHMQOOYMXAJZ-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-(4-ethylphenyl)-1,2,4-triazole?
The IUPAC name of 4-(4-ethylphenyl)-1,2,4-triazole (CID 22390723) is 4-(4-ethylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(4-ethylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(4-ethylphenyl)-1,2,4-triazole is CCc1ccc(-n2cnnc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-1,2,4-triazole?
The InChIKey is KYXHMQOOYMXAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-9-3-5-10(6-4-9)13-7-11-12-8-13/h3-8H,2H2,1H3.
What are the key properties of 4-(4-ethylphenyl)-1,2,4-triazole?
4-(4-ethylphenyl)-1,2,4-triazole 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-(4-ethylphenyl)-1,2,4-triazole is sourced from PubChem (CID 22390723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).