2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide

C16H14N4O — CID 855851

IUPAC2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
SMILESNC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H14N4O/c17-14(21)11-20-16(13-9-5-2-6-10-13)18-15(19-20)12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,21)
InChIKeyNJAPCHATEIWIRD-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.10
Rot. Bonds4

About 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide

2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide (PubChem CID 855851) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
PubChem CID855851
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
SMILESNC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H14N4O/c17-14(21)11-20-16(13-9-5-2-6-10-13)18-15(19-20)12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,21)
InChIKeyNJAPCHATEIWIRD-UHFFFAOYSA-N
XLogP2.10
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide (CID 855851) is 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide is NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is NJAPCHATEIWIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-14(21)11-20-16(13-9-5-2-6-10-13)18-15(19-20)12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,21).
What are the key properties of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 278.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 855851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).