N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide

C20H20N4O — CID 6401682

IUPACN-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-20(2,3)18(25)22-19-21-16(14-10-6-4-7-11-14)17(23-24-19)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,21,22,24,25)
InChIKeyRVPRDXUQZPVHBY-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.19
Rot. Bonds3

About N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide

N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide (PubChem CID 6401682) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide
PubChem CID6401682
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-20(2,3)18(25)22-19-21-16(14-10-6-4-7-11-14)17(23-24-19)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,21,22,24,25)
InChIKeyRVPRDXUQZPVHBY-UHFFFAOYSA-N
XLogP4.19
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide (CID 6401682) is N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide?
The InChIKey is RVPRDXUQZPVHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-20(2,3)18(25)22-19-21-16(14-10-6-4-7-11-14)17(23-24-19)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,21,22,24,25).
What are the key properties of N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide?
N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide has a molecular weight of 332.41 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 6401682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).