2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C16H14N4O — CID 71937205

IUPAC2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ncn[nH]1)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H14N4O/c21-16(17-10-15-18-11-19-20-15)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,17,21)(H,18,19,20)
InChIKeyNBIVYOIDFNGLJJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.40
Rot. Bonds4

About 2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 71937205) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID71937205
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ncn[nH]1)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H14N4O/c21-16(17-10-15-18-11-19-20-15)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,17,21)(H,18,19,20)
InChIKeyNBIVYOIDFNGLJJ-UHFFFAOYSA-N
XLogP2.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of 2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 71937205) is 2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is O=C(NCc1ncn[nH]1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is NBIVYOIDFNGLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(17-10-15-18-11-19-20-15)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,17,21)(H,18,19,20).
What are the key properties of 2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 278.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 71937205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).