6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine

C9H6F3N5 — CID 112681459

IUPAC6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2c(F)cc(F)cc2F)n1
InChIInChI=1S/C9H6F3N5/c10-3-1-4(11)6(5(12)2-3)7-15-8(13)17-9(14)16-7/h1-2H,(H4,13,14,15,16,17)
InChIKeyCZONFDJISFXBHX-UHFFFAOYSA-N
MW241.18 g/mol
LogP1.12
Rot. Bonds1

About 6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine

6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112681459) has the molecular formula C9H6F3N5 and a molecular weight of 241.18 g/mol. Its IUPAC name is 6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID112681459
Molecular FormulaC9H6F3N5
Molecular Weight241.18 g/mol
Exact Mass241.06
IUPAC Name6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2c(F)cc(F)cc2F)n1
InChIInChI=1S/C9H6F3N5/c10-3-1-4(11)6(5(12)2-3)7-15-8(13)17-9(14)16-7/h1-2H,(H4,13,14,15,16,17)
InChIKeyCZONFDJISFXBHX-UHFFFAOYSA-N
XLogP1.12
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine (CID 112681459) is 6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2c(F)cc(F)cc2F)n1.
What is the InChIKey of 6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CZONFDJISFXBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N5/c10-3-1-4(11)6(5(12)2-3)7-15-8(13)17-9(14)16-7/h1-2H,(H4,13,14,15,16,17).
What are the key properties of 6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine?
6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 241.18 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112681459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).