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

C25H25N5 — CID 46742345

IUPACN-[(4-tert-butylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCC(C)(C)c1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C25H25N5/c1-25(2,3)20-14-12-18(13-15-20)17-27-24-22(19-9-5-4-6-10-19)29-30-23(28-24)21-11-7-8-16-26-21/h4-16H,17H2,1-3H3,(H,27,28,30)
InChIKeySKLXOVZCZWTTRY-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.51
Rot. Bonds5

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

N-[(4-tert-butylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 46742345) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID46742345
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC NameN-[(4-tert-butylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCC(C)(C)c1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C25H25N5/c1-25(2,3)20-14-12-18(13-15-20)17-27-24-22(19-9-5-4-6-10-19)29-30-23(28-24)21-11-7-8-16-26-21/h4-16H,17H2,1-3H3,(H,27,28,30)
InChIKeySKLXOVZCZWTTRY-UHFFFAOYSA-N
XLogP5.51
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 46742345) is N-[(4-tert-butylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is CC(C)(C)c1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is SKLXOVZCZWTTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-25(2,3)20-14-12-18(13-15-20)17-27-24-22(19-9-5-4-6-10-19)29-30-23(28-24)21-11-7-8-16-26-21/h4-16H,17H2,1-3H3,(H,27,28,30).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-[(4-tert-butylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 395.51 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 46742345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).