6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine

C11H10ClFN4 — CID 170311292

IUPAC6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
SMILESCC(Nc1ncc(Cl)nn1)c1ccc(F)cc1
InChIInChI=1S/C11H10ClFN4/c1-7(8-2-4-9(13)5-3-8)15-11-14-6-10(12)16-17-11/h2-7H,1H3,(H,14,15,17)
InChIKeyOGLULJKESHTYIL-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.84
Rot. Bonds3

About 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine

6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine (PubChem CID 170311292) has the molecular formula C11H10ClFN4 and a molecular weight of 252.68 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
PubChem CID170311292
Molecular FormulaC11H10ClFN4
Molecular Weight252.68 g/mol
Exact Mass252.06
IUPAC Name6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
SMILESCC(Nc1ncc(Cl)nn1)c1ccc(F)cc1
InChIInChI=1S/C11H10ClFN4/c1-7(8-2-4-9(13)5-3-8)15-11-14-6-10(12)16-17-11/h2-7H,1H3,(H,14,15,17)
InChIKeyOGLULJKESHTYIL-UHFFFAOYSA-N
XLogP2.84
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine (CID 170311292) is 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine is CC(Nc1ncc(Cl)nn1)c1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is OGLULJKESHTYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4/c1-7(8-2-4-9(13)5-3-8)15-11-14-6-10(12)16-17-11/h2-7H,1H3,(H,14,15,17).
What are the key properties of 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 252.68 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 170311292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).