3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine

C12H12ClFN4 — CID 55141300

IUPAC3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine
SMILESCC(Cc1ccc(F)cc1)Nc1cnnc(Cl)n1
InChIInChI=1S/C12H12ClFN4/c1-8(6-9-2-4-10(14)5-3-9)16-11-7-15-18-12(13)17-11/h2-5,7-8H,6H2,1H3,(H,16,17,18)
InChIKeyAPDWSBPQXWBZGL-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.71
Rot. Bonds4

About 3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine

3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine (PubChem CID 55141300) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine
PubChem CID55141300
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine
SMILESCC(Cc1ccc(F)cc1)Nc1cnnc(Cl)n1
InChIInChI=1S/C12H12ClFN4/c1-8(6-9-2-4-10(14)5-3-9)16-11-7-15-18-12(13)17-11/h2-5,7-8H,6H2,1H3,(H,16,17,18)
InChIKeyAPDWSBPQXWBZGL-UHFFFAOYSA-N
XLogP2.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine (CID 55141300) is 3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine is CC(Cc1ccc(F)cc1)Nc1cnnc(Cl)n1.
What is the InChIKey of 3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine?
The InChIKey is APDWSBPQXWBZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c1-8(6-9-2-4-10(14)5-3-9)16-11-7-15-18-12(13)17-11/h2-5,7-8H,6H2,1H3,(H,16,17,18).
What are the key properties of 3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine?
3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine has a molecular weight of 266.71 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 55141300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).