6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine

C15H11ClFN5 — CID 86676119

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)
InChIKeyNCWQLHHDGDXIJN-UHFFFAOYSA-N
MW315.74 g/mol
LogP3.28
Rot. Bonds2

About 6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine

6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 86676119) has the molecular formula C15H11ClFN5 and a molecular weight of 315.74 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID86676119
Molecular FormulaC15H11ClFN5
Molecular Weight315.74 g/mol
Exact Mass315.07
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(Cl)n1
InChIInChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)
InChIKeyNCWQLHHDGDXIJN-UHFFFAOYSA-N
XLogP3.28
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (CID 86676119) is 6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine is Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is NCWQLHHDGDXIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 315.74 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 86676119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).