N-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

C21H17N5 — CID 6404644

IUPACN-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESc1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C21H17N5/c1-3-9-16(10-4-1)15-23-21-19(17-11-5-2-6-12-17)25-26-20(24-21)18-13-7-8-14-22-18/h1-14H,15H2,(H,23,24,26)
InChIKeyWZQZDRFDQLUGEP-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.21
Rot. Bonds5

About N-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

N-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 6404644) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID6404644
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC NameN-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESc1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C21H17N5/c1-3-9-16(10-4-1)15-23-21-19(17-11-5-2-6-12-17)25-26-20(24-21)18-13-7-8-14-22-18/h1-14H,15H2,(H,23,24,26)
InChIKeyWZQZDRFDQLUGEP-UHFFFAOYSA-N
XLogP4.21
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 6404644) is N-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is c1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1.
What is the InChIKey of N-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is WZQZDRFDQLUGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-3-9-16(10-4-1)15-23-21-19(17-11-5-2-6-12-17)25-26-20(24-21)18-13-7-8-14-22-18/h1-14H,15H2,(H,23,24,26).
What are the key properties of N-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 339.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 6404644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).