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

C15H10Cl2N4O — CID 67363152

IUPAC6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(Oc2ccc(Cl)cc2Cl)c(-c2ccccc2)n1
InChIInChI=1S/C15H10Cl2N4O/c16-10-6-7-12(11(17)8-10)22-14-13(19-15(18)21-20-14)9-4-2-1-3-5-9/h1-8H,(H2,18,19,21)
InChIKeyYDFLBLIVVPIOIG-UHFFFAOYSA-N
MW333.18 g/mol
LogP4.22
Rot. Bonds3

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

6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 67363152) has the molecular formula C15H10Cl2N4O and a molecular weight of 333.18 g/mol. Its IUPAC name is 6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID67363152
Molecular FormulaC15H10Cl2N4O
Molecular Weight333.18 g/mol
Exact Mass332.02
IUPAC Name6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(Oc2ccc(Cl)cc2Cl)c(-c2ccccc2)n1
InChIInChI=1S/C15H10Cl2N4O/c16-10-6-7-12(11(17)8-10)22-14-13(19-15(18)21-20-14)9-4-2-1-3-5-9/h1-8H,(H2,18,19,21)
InChIKeyYDFLBLIVVPIOIG-UHFFFAOYSA-N
XLogP4.22
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine (CID 67363152) is 6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine is Nc1nnc(Oc2ccc(Cl)cc2Cl)c(-c2ccccc2)n1.
What is the InChIKey of 6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is YDFLBLIVVPIOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O/c16-10-6-7-12(11(17)8-10)22-14-13(19-15(18)21-20-14)9-4-2-1-3-5-9/h1-8H,(H2,18,19,21).
What are the key properties of 6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine?
6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 333.18 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 67363152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).