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

C22H19N5O — CID 46742342

IUPACN-[(3-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCOc1cccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)c1
InChIInChI=1S/C22H19N5O/c1-28-18-11-7-8-16(14-18)15-24-22-20(17-9-3-2-4-10-17)26-27-21(25-22)19-12-5-6-13-23-19/h2-14H,15H2,1H3,(H,24,25,27)
InChIKeyILPKDJDZIKMYPJ-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.22
Rot. Bonds6

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

N-[(3-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 46742342) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID46742342
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCOc1cccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)c1
InChIInChI=1S/C22H19N5O/c1-28-18-11-7-8-16(14-18)15-24-22-20(17-9-3-2-4-10-17)26-27-21(25-22)19-12-5-6-13-23-19/h2-14H,15H2,1H3,(H,24,25,27)
InChIKeyILPKDJDZIKMYPJ-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-[(3-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 46742342) is N-[(3-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is COc1cccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is ILPKDJDZIKMYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-28-18-11-7-8-16(14-18)15-24-22-20(17-9-3-2-4-10-17)26-27-21(25-22)19-12-5-6-13-23-19/h2-14H,15H2,1H3,(H,24,25,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-[(3-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-[(3-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 46742342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).