6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine

C15H11ClFN5 — CID 87371290

IUPAC6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2cc(Cl)nc(CF)c2)c(-c2ccccc2)n1
InChIInChI=1S/C15H11ClFN5/c16-12-7-10(6-11(8-17)19-12)14-13(20-15(18)22-21-14)9-4-2-1-3-5-9/h1-7H,8H2,(H2,18,20,22)
InChIKeyWQANLJXFMGVEPO-UHFFFAOYSA-N
MW315.74 g/mol
LogP3.31
Rot. Bonds3

About 6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine

6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 87371290) has the molecular formula C15H11ClFN5 and a molecular weight of 315.74 g/mol. Its IUPAC name is 6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
PubChem CID87371290
Molecular FormulaC15H11ClFN5
Molecular Weight315.74 g/mol
Exact Mass315.07
IUPAC Name6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2cc(Cl)nc(CF)c2)c(-c2ccccc2)n1
InChIInChI=1S/C15H11ClFN5/c16-12-7-10(6-11(8-17)19-12)14-13(20-15(18)22-21-14)9-4-2-1-3-5-9/h1-7H,8H2,(H2,18,20,22)
InChIKeyWQANLJXFMGVEPO-UHFFFAOYSA-N
XLogP3.31
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine (CID 87371290) is 6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine is Nc1nnc(-c2cc(Cl)nc(CF)c2)c(-c2ccccc2)n1.
What is the InChIKey of 6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is WQANLJXFMGVEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5/c16-12-7-10(6-11(8-17)19-12)14-13(20-15(18)22-21-14)9-4-2-1-3-5-9/h1-7H,8H2,(H2,18,20,22).
What are the key properties of 6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 315.74 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-6-(fluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 87371290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).