N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide

C18H18N4O2 — CID 15149790

IUPACN-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide
SMILESCN1N=C(c2ccccc2)CN(NC(=O)Cc2ccccc2)C1=O
InChIInChI=1S/C18H18N4O2/c1-21-18(24)22(13-16(19-21)15-10-6-3-7-11-15)20-17(23)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,23)
InChIKeyZUTMTQIRBIFAPA-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.03
Rot. Bonds4

About N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide

N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide (PubChem CID 15149790) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide
PubChem CID15149790
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide
SMILESCN1N=C(c2ccccc2)CN(NC(=O)Cc2ccccc2)C1=O
InChIInChI=1S/C18H18N4O2/c1-21-18(24)22(13-16(19-21)15-10-6-3-7-11-15)20-17(23)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,23)
InChIKeyZUTMTQIRBIFAPA-UHFFFAOYSA-N
XLogP2.03
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide?
The IUPAC name of N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide (CID 15149790) is N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide?
The canonical SMILES for N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide is CN1N=C(c2ccccc2)CN(NC(=O)Cc2ccccc2)C1=O.
What is the InChIKey of N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide?
The InChIKey is ZUTMTQIRBIFAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21-18(24)22(13-16(19-21)15-10-6-3-7-11-15)20-17(23)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,23).
What are the key properties of N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide?
N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide has a molecular weight of 322.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)-2-phenylacetamide is sourced from PubChem (CID 15149790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).