6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

C10H14F3N5 — CID 112746050

IUPAC6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC(F)(F)F)c1nc(N)nc(C2CC2)n1
InChIInChI=1S/C10H14F3N5/c1-2-18(5-10(11,12)13)9-16-7(6-3-4-6)15-8(14)17-9/h6H,2-5H2,1H3,(H2,14,15,16,17)
InChIKeyILBYKNJXNOJFGL-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.72
Rot. Bonds4

About 6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112746050) has the molecular formula C10H14F3N5 and a molecular weight of 261.25 g/mol. Its IUPAC name is 6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID112746050
Molecular FormulaC10H14F3N5
Molecular Weight261.25 g/mol
Exact Mass261.12
IUPAC Name6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC(F)(F)F)c1nc(N)nc(C2CC2)n1
InChIInChI=1S/C10H14F3N5/c1-2-18(5-10(11,12)13)9-16-7(6-3-4-6)15-8(14)17-9/h6H,2-5H2,1H3,(H2,14,15,16,17)
InChIKeyILBYKNJXNOJFGL-UHFFFAOYSA-N
XLogP1.72
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 112746050) is 6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is CCN(CC(F)(F)F)c1nc(N)nc(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ILBYKNJXNOJFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5/c1-2-18(5-10(11,12)13)9-16-7(6-3-4-6)15-8(14)17-9/h6H,2-5H2,1H3,(H2,14,15,16,17).
What are the key properties of 6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 261.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).