N-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

C23H21N5 — CID 46742338

IUPACN-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCc1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1C
InChIInChI=1S/C23H21N5/c1-16-11-12-18(14-17(16)2)15-25-23-21(19-8-4-3-5-9-19)27-28-22(26-23)20-10-6-7-13-24-20/h3-14H,15H2,1-2H3,(H,25,26,28)
InChIKeyAWZVHCWUAXKFFK-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.83
Rot. Bonds5

About N-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

N-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 46742338) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID46742338
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCc1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1C
InChIInChI=1S/C23H21N5/c1-16-11-12-18(14-17(16)2)15-25-23-21(19-8-4-3-5-9-19)27-28-22(26-23)20-10-6-7-13-24-20/h3-14H,15H2,1-2H3,(H,25,26,28)
InChIKeyAWZVHCWUAXKFFK-UHFFFAOYSA-N
XLogP4.83
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 46742338) is N-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is Cc1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is AWZVHCWUAXKFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c1-16-11-12-18(14-17(16)2)15-25-23-21(19-8-4-3-5-9-19)27-28-22(26-23)20-10-6-7-13-24-20/h3-14H,15H2,1-2H3,(H,25,26,28).
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 367.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 46742338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).