4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole

C16H15N3 — CID 56705969

IUPAC4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole
SMILESCCc1ccccc1-c1cccc(-n2cnnc2)c1
InChIInChI=1S/C16H15N3/c1-2-13-6-3-4-9-16(13)14-7-5-8-15(10-14)19-11-17-18-12-19/h3-12H,2H2,1H3
InChIKeyCCVNJKOGOCMFAP-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.50
Rot. Bonds3

About 4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole

4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole (PubChem CID 56705969) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole
PubChem CID56705969
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole
SMILESCCc1ccccc1-c1cccc(-n2cnnc2)c1
InChIInChI=1S/C16H15N3/c1-2-13-6-3-4-9-16(13)14-7-5-8-15(10-14)19-11-17-18-12-19/h3-12H,2H2,1H3
InChIKeyCCVNJKOGOCMFAP-UHFFFAOYSA-N
XLogP3.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole?
The IUPAC name of 4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole (CID 56705969) is 4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole is CCc1ccccc1-c1cccc(-n2cnnc2)c1.
What is the InChIKey of 4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole?
The InChIKey is CCVNJKOGOCMFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-13-6-3-4-9-16(13)14-7-5-8-15(10-14)19-11-17-18-12-19/h3-12H,2H2,1H3.
What are the key properties of 4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole?
4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole has a molecular weight of 249.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethylphenyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 56705969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).