N-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide

C24H17N5O2 — CID 177373851

IUPACN-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2nc(-c3ccccc3)c(-c3ccccc3)nc2=O)c1
InChIInChI=1S/C24H17N5O2/c25-15-17-8-7-13-20(14-17)26-21(30)16-29-24(31)27-22(18-9-3-1-4-10-18)23(28-29)19-11-5-2-6-12-19/h1-14H,16H2,(H,26,30)
InChIKeyLEZLPUSBDAMTMG-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.48
Rot. Bonds5

About N-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide

N-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide (PubChem CID 177373851) has the molecular formula C24H17N5O2 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
PubChem CID177373851
Molecular FormulaC24H17N5O2
Molecular Weight407.43 g/mol
Exact Mass407.14
IUPAC NameN-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2nc(-c3ccccc3)c(-c3ccccc3)nc2=O)c1
InChIInChI=1S/C24H17N5O2/c25-15-17-8-7-13-20(14-17)26-21(30)16-29-24(31)27-22(18-9-3-1-4-10-18)23(28-29)19-11-5-2-6-12-19/h1-14H,16H2,(H,26,30)
InChIKeyLEZLPUSBDAMTMG-UHFFFAOYSA-N
XLogP3.48
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide (CID 177373851) is N-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide is N#Cc1cccc(NC(=O)Cn2nc(-c3ccccc3)c(-c3ccccc3)nc2=O)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The InChIKey is LEZLPUSBDAMTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2/c25-15-17-8-7-13-20(14-17)26-21(30)16-29-24(31)27-22(18-9-3-1-4-10-18)23(28-29)19-11-5-2-6-12-19/h1-14H,16H2,(H,26,30).
What are the key properties of N-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
N-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide has a molecular weight of 407.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide is sourced from PubChem (CID 177373851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).