4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine

C9H12F3N5 — CID 112746474

IUPAC4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(N2CCC(C(F)(F)F)C2)n1
InChIInChI=1S/C9H12F3N5/c1-5-14-7(13)16-8(15-5)17-3-2-6(4-17)9(10,11)12/h6H,2-4H2,1H3,(H2,13,14,15,16)
InChIKeyFFTZHJALHWXKIC-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.15
Rot. Bonds1

About 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine

4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 112746474) has the molecular formula C9H12F3N5 and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID112746474
Molecular FormulaC9H12F3N5
Molecular Weight247.22 g/mol
Exact Mass247.10
IUPAC Name4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(N2CCC(C(F)(F)F)C2)n1
InChIInChI=1S/C9H12F3N5/c1-5-14-7(13)16-8(15-5)17-3-2-6(4-17)9(10,11)12/h6H,2-4H2,1H3,(H2,13,14,15,16)
InChIKeyFFTZHJALHWXKIC-UHFFFAOYSA-N
XLogP1.15
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine (CID 112746474) is 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine is Cc1nc(N)nc(N2CCC(C(F)(F)F)C2)n1.
What is the InChIKey of 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is FFTZHJALHWXKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5/c1-5-14-7(13)16-8(15-5)17-3-2-6(4-17)9(10,11)12/h6H,2-4H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 247.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 112746474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).