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

C22H19N5O — CID 46742341

IUPACN-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCOc1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C22H19N5O/c1-28-18-12-10-16(11-13-18)15-24-22-20(17-7-3-2-4-8-17)26-27-21(25-22)19-9-5-6-14-23-19/h2-14H,15H2,1H3,(H,24,25,27)
InChIKeyYOVHNTUSXOLMEB-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.22
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 46742341) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID46742341
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCOc1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C22H19N5O/c1-28-18-12-10-16(11-13-18)15-24-22-20(17-7-3-2-4-8-17)26-27-21(25-22)19-9-5-6-14-23-19/h2-14H,15H2,1H3,(H,24,25,27)
InChIKeyYOVHNTUSXOLMEB-UHFFFAOYSA-N
XLogP4.22
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 46742341) is N-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is COc1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is YOVHNTUSXOLMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-28-18-12-10-16(11-13-18)15-24-22-20(17-7-3-2-4-8-17)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-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 369.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 46742341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).