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

C22H19N5 — CID 44602352

IUPACN-[(4-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCc1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C22H19N5/c1-16-10-12-17(13-11-16)15-24-22-20(18-7-3-2-4-8-18)26-27-21(25-22)19-9-5-6-14-23-19/h2-14H,15H2,1H3,(H,24,25,27)
InChIKeyXXSFXQLMBCXBAH-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.52
Rot. Bonds5

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

N-[(4-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 44602352) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID44602352
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC NameN-[(4-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCc1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C22H19N5/c1-16-10-12-17(13-11-16)15-24-22-20(18-7-3-2-4-8-18)26-27-21(25-22)19-9-5-6-14-23-19/h2-14H,15H2,1H3,(H,24,25,27)
InChIKeyXXSFXQLMBCXBAH-UHFFFAOYSA-N
XLogP4.52
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

L-790070
CID 9806182
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
Tt-301
CID 54576073
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
6-Phenyl-1,2,4-triazin-3-amine
CID 120468
2-Phenylimidazo[2,1-a]phthalazin-6-amine
CID 3765310
N-([1,1'-Biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine
CID 46742353
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
Imidazopyridine 12b
CID 5329348
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 44602352) is N-[(4-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is Cc1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is XXSFXQLMBCXBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-16-10-12-17(13-11-16)15-24-22-20(18-7-3-2-4-8-18)26-27-21(25-22)19-9-5-6-14-23-19/h2-14H,15H2,1H3,(H,24,25,27).
What are the key properties of N-[(4-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-[(4-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 353.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 44602352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).