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

C10H14F3N5 — CID 112746475

IUPAC4-ethyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(N2CCC(C(F)(F)F)C2)n1
InChIInChI=1S/C10H14F3N5/c1-2-7-15-8(14)17-9(16-7)18-4-3-6(5-18)10(11,12)13/h6H,2-5H2,1H3,(H2,14,15,16,17)
InChIKeyXPQDVFSKDOQCAS-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.40
Rot. Bonds2

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

4-ethyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 112746475) has the molecular formula C10H14F3N5 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-ethyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID112746475
Molecular FormulaC10H14F3N5
Molecular Weight261.25 g/mol
Exact Mass261.12
IUPAC Name4-ethyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(N2CCC(C(F)(F)F)C2)n1
InChIInChI=1S/C10H14F3N5/c1-2-7-15-8(14)17-9(16-7)18-4-3-6(5-18)10(11,12)13/h6H,2-5H2,1H3,(H2,14,15,16,17)
InChIKeyXPQDVFSKDOQCAS-UHFFFAOYSA-N
XLogP1.40
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine (CID 112746475) is 4-ethyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine is CCc1nc(N)nc(N2CCC(C(F)(F)F)C2)n1.
What is the InChIKey of 4-ethyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is XPQDVFSKDOQCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5/c1-2-7-15-8(14)17-9(16-7)18-4-3-6(5-18)10(11,12)13/h6H,2-5H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-ethyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
4-ethyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 261.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 112746475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).