5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

C19H20N4O2 — CID 171365061

IUPAC5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCN(C)C(=O)C1=NC(Cc2ccccc2)C(=O)N(c2ccccc2)N1
InChIInChI=1S/C19H20N4O2/c1-22(2)19(25)17-20-16(13-14-9-5-3-6-10-14)18(24)23(21-17)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3,(H,20,21)
InChIKeyAMOUFGNNKJYMOJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.64
Rot. Bonds4

About 5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 171365061) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID171365061
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCN(C)C(=O)C1=NC(Cc2ccccc2)C(=O)N(c2ccccc2)N1
InChIInChI=1S/C19H20N4O2/c1-22(2)19(25)17-20-16(13-14-9-5-3-6-10-14)18(24)23(21-17)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3,(H,20,21)
InChIKeyAMOUFGNNKJYMOJ-UHFFFAOYSA-N
XLogP1.64
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of 5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 171365061) is 5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for 5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for 5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is CN(C)C(=O)C1=NC(Cc2ccccc2)C(=O)N(c2ccccc2)N1.
What is the InChIKey of 5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is AMOUFGNNKJYMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22(2)19(25)17-20-16(13-14-9-5-3-6-10-14)18(24)23(21-17)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3,(H,20,21).
What are the key properties of 5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 171365061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).