4-(2-ethylphenyl)-2H-triazole

C10H11N3 — CID 22009901

IUPAC4-(2-ethylphenyl)-2H-triazole
SMILESCCc1ccccc1-c1cn[nH]n1
InChIInChI=1S/C10H11N3/c1-2-8-5-3-4-6-9(8)10-7-11-13-12-10/h3-7H,2H2,1H3,(H,11,12,13)
InChIKeyAYTAFMWWGJROJC-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.03
Rot. Bonds2

About 4-(2-ethylphenyl)-2H-triazole

4-(2-ethylphenyl)-2H-triazole (PubChem CID 22009901) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-(2-ethylphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(2-ethylphenyl)-2H-triazole
PubChem CID22009901
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-(2-ethylphenyl)-2H-triazole
SMILESCCc1ccccc1-c1cn[nH]n1
InChIInChI=1S/C10H11N3/c1-2-8-5-3-4-6-9(8)10-7-11-13-12-10/h3-7H,2H2,1H3,(H,11,12,13)
InChIKeyAYTAFMWWGJROJC-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenyl)-2H-triazole?
The IUPAC name of 4-(2-ethylphenyl)-2H-triazole (CID 22009901) is 4-(2-ethylphenyl)-2H-triazole.
What is the SMILES notation for 4-(2-ethylphenyl)-2H-triazole?
The canonical SMILES for 4-(2-ethylphenyl)-2H-triazole is CCc1ccccc1-c1cn[nH]n1.
What is the InChIKey of 4-(2-ethylphenyl)-2H-triazole?
The InChIKey is AYTAFMWWGJROJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-8-5-3-4-6-9(8)10-7-11-13-12-10/h3-7H,2H2,1H3,(H,11,12,13).
What are the key properties of 4-(2-ethylphenyl)-2H-triazole?
4-(2-ethylphenyl)-2H-triazole has a molecular weight of 173.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenyl)-2H-triazole is sourced from PubChem (CID 22009901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).