6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine

C17H16N4 — CID 53353233

IUPAC6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2nnc(N)nc2-c2ccccc2)cc1C
InChIInChI=1S/C17H16N4/c1-11-8-9-14(10-12(11)2)16-15(19-17(18)21-20-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,18,19,21)
InChIKeyCYARAUSFBAIAGS-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.40
Rot. Bonds2

About 6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine

6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 53353233) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID53353233
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2nnc(N)nc2-c2ccccc2)cc1C
InChIInChI=1S/C17H16N4/c1-11-8-9-14(10-12(11)2)16-15(19-17(18)21-20-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,18,19,21)
InChIKeyCYARAUSFBAIAGS-UHFFFAOYSA-N
XLogP3.40
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine (CID 53353233) is 6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine is Cc1ccc(-c2nnc(N)nc2-c2ccccc2)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is CYARAUSFBAIAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-11-8-9-14(10-12(11)2)16-15(19-17(18)21-20-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,18,19,21).
What are the key properties of 6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine?
6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 276.34 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 53353233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).