4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C11H7ClFN7 — CID 62868495

IUPAC4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(Cl)nc(-n3cncn3)n2)cc1
InChIInChI=1S/C11H7ClFN7/c12-9-17-10(16-8-3-1-7(13)2-4-8)19-11(18-9)20-6-14-5-15-20/h1-6H,(H,16,17,18,19)
InChIKeyJXGKSODJEOMFGQ-UHFFFAOYSA-N
MW291.68 g/mol
LogP1.99
Rot. Bonds3

About 4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 62868495) has the molecular formula C11H7ClFN7 and a molecular weight of 291.68 g/mol. Its IUPAC name is 4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID62868495
Molecular FormulaC11H7ClFN7
Molecular Weight291.68 g/mol
Exact Mass291.04
IUPAC Name4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(Cl)nc(-n3cncn3)n2)cc1
InChIInChI=1S/C11H7ClFN7/c12-9-17-10(16-8-3-1-7(13)2-4-8)19-11(18-9)20-6-14-5-15-20/h1-6H,(H,16,17,18,19)
InChIKeyJXGKSODJEOMFGQ-UHFFFAOYSA-N
XLogP1.99
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.68
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 62868495) is 4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is Fc1ccc(Nc2nc(Cl)nc(-n3cncn3)n2)cc1.
What is the InChIKey of 4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is JXGKSODJEOMFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN7/c12-9-17-10(16-8-3-1-7(13)2-4-8)19-11(18-9)20-6-14-5-15-20/h1-6H,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 291.68 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).