3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine

C11H13F3N6 — CID 138684288

IUPAC3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
SMILESNc1ncnn2c([C@H]3CCC[C@@H](C(F)(F)F)C3)nnc12
InChIInChI=1S/C11H13F3N6/c12-11(13,14)7-3-1-2-6(4-7)9-18-19-10-8(15)16-5-17-20(9)10/h5-7H,1-4H2,(H2,15,16,17)/t6-,7+/m0/s1
InChIKeyIUGLOXFJDSZIJL-NKWVEPMBSA-N
MW286.26 g/mol
LogP1.94
Rot. Bonds1

About 3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine

3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine (PubChem CID 138684288) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine.

Molecular Properties

Compound Name3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
PubChem CID138684288
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
SMILESNc1ncnn2c([C@H]3CCC[C@@H](C(F)(F)F)C3)nnc12
InChIInChI=1S/C11H13F3N6/c12-11(13,14)7-3-1-2-6(4-7)9-18-19-10-8(15)16-5-17-20(9)10/h5-7H,1-4H2,(H2,15,16,17)/t6-,7+/m0/s1
InChIKeyIUGLOXFJDSZIJL-NKWVEPMBSA-N
XLogP1.94
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine?
The IUPAC name of 3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine (CID 138684288) is 3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine.
What is the SMILES notation for 3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine?
The canonical SMILES for 3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine is Nc1ncnn2c([C@H]3CCC[C@@H](C(F)(F)F)C3)nnc12.
What is the InChIKey of 3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine?
The InChIKey is IUGLOXFJDSZIJL-NKWVEPMBSA-N. The full InChI is InChI=1S/C11H13F3N6/c12-11(13,14)7-3-1-2-6(4-7)9-18-19-10-8(15)16-5-17-20(9)10/h5-7H,1-4H2,(H2,15,16,17)/t6-,7+/m0/s1.
What are the key properties of 3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine?
3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine has a molecular weight of 286.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine is sourced from PubChem (CID 138684288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).