2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole

C18H17N3 — CID 89104477

IUPAC2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole
SMILESCCn1nc(/C=C/c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C18H17N3/c1-2-21-19-17(14-13-15-9-5-3-6-10-15)18(20-21)16-11-7-4-8-12-16/h3-14H,2H2,1H3/b14-13+
InChIKeyFDZIVTLUFIOOLX-BUHFOSPRSA-N
MW275.36 g/mol
LogP4.14
Rot. Bonds4

About 2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole

2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole (PubChem CID 89104477) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole.

Molecular Properties

Compound Name2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole
PubChem CID89104477
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole
SMILESCCn1nc(/C=C/c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C18H17N3/c1-2-21-19-17(14-13-15-9-5-3-6-10-15)18(20-21)16-11-7-4-8-12-16/h3-14H,2H2,1H3/b14-13+
InChIKeyFDZIVTLUFIOOLX-BUHFOSPRSA-N
XLogP4.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole?
The IUPAC name of 2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole (CID 89104477) is 2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole.
What is the SMILES notation for 2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole?
The canonical SMILES for 2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole is CCn1nc(/C=C/c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole?
The InChIKey is FDZIVTLUFIOOLX-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-21-19-17(14-13-15-9-5-3-6-10-15)18(20-21)16-11-7-4-8-12-16/h3-14H,2H2,1H3/b14-13+.
What are the key properties of 2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole?
2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole has a molecular weight of 275.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-phenyl-5-[(E)-2-phenylethenyl]triazole is sourced from PubChem (CID 89104477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).