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

C17H15ClN4O2 — CID 15149788

IUPAC4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide
SMILESCN1N=C(c2ccccc2)CN(NC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H15ClN4O2/c1-21-17(24)22(11-15(19-21)12-5-3-2-4-6-12)20-16(23)13-7-9-14(18)10-8-13/h2-10H,11H2,1H3,(H,20,23)
InChIKeyUPHYKQVPJFACLE-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.76
Rot. Bonds3

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

4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide (PubChem CID 15149788) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide
PubChem CID15149788
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide
SMILESCN1N=C(c2ccccc2)CN(NC(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H15ClN4O2/c1-21-17(24)22(11-15(19-21)12-5-3-2-4-6-12)20-16(23)13-7-9-14(18)10-8-13/h2-10H,11H2,1H3,(H,20,23)
InChIKeyUPHYKQVPJFACLE-UHFFFAOYSA-N
XLogP2.76
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide?
The IUPAC name of 4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide (CID 15149788) is 4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide is CN1N=C(c2ccccc2)CN(NC(=O)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide?
The InChIKey is UPHYKQVPJFACLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-21-17(24)22(11-15(19-21)12-5-3-2-4-6-12)20-16(23)13-7-9-14(18)10-8-13/h2-10H,11H2,1H3,(H,20,23).
What are the key properties of 4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide?
4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide has a molecular weight of 342.79 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide is sourced from PubChem (CID 15149788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).