2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide

C16H14N4O — CID 660644

IUPAC2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(Nn1cnnc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4O/c21-16(19-20-11-17-18-12-20)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,15H,(H,19,21)
InChIKeyAHQLLBKXAMTPTB-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.18
Rot. Bonds4

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

2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 660644) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID660644
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(Nn1cnnc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4O/c21-16(19-20-11-17-18-12-20)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,15H,(H,19,21)
InChIKeyAHQLLBKXAMTPTB-UHFFFAOYSA-N
XLogP2.18
TPSA59.81 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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,4)Triazol-4-YL-benzamide
CID 676579
4-tert-butyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814667
2-Methyl-N-[1,2,4]triazol-4-yl-benzamide
CID 2247187
2-phenyl-2-(phenylsulfanyl)-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 660768
3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 888108
N-4H-1,2,4-triazol-4-yl-2-biphenylcarboxamide
CID 976233
2-(2-phenylethyl)-N-4H-1,2,4-triazol-4-ylbenzamide
CID 1254226
N-methyl-2-phenyl-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 1214462
4-ethyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 2225294
N-(4H-1,2,4-triazol-4-yl)naphthalene-1-carboxamide
CID 3973313
4-(4-Fluorophenyl)-5-(1,2,4-triazol-4-yl)-1,2-dihydropyrazol-3-one
CID 12330565
2-(2-fluorobiphenyl-4-yl)-N-(1H-1,2,4-triazol-3-yl)propanamide
CID 71703947

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide (CID 660644) is 2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide is O=C(Nn1cnnc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is AHQLLBKXAMTPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(19-20-11-17-18-12-20)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,15H,(H,19,21).
What are the key properties of 2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide?
2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 278.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 660644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).