3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine

C12H15F3N6 — CID 138684380

IUPAC3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
SMILESCC1CCC(C(F)(F)F)CC1c1nnc2c(N)ncnn12
InChIInChI=1S/C12H15F3N6/c1-6-2-3-7(12(13,14)15)4-8(6)10-19-20-11-9(16)17-5-18-21(10)11/h5-8H,2-4H2,1H3,(H2,16,17,18)
InChIKeyLUIIWGKKDCHPAM-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.18
Rot. Bonds1

About 3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine

3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine (PubChem CID 138684380) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine.

Molecular Properties

Compound Name3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
PubChem CID138684380
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
SMILESCC1CCC(C(F)(F)F)CC1c1nnc2c(N)ncnn12
InChIInChI=1S/C12H15F3N6/c1-6-2-3-7(12(13,14)15)4-8(6)10-19-20-11-9(16)17-5-18-21(10)11/h5-8H,2-4H2,1H3,(H2,16,17,18)
InChIKeyLUIIWGKKDCHPAM-UHFFFAOYSA-N
XLogP2.18
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine with MolForge

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Related Compounds

3-[(1S,2R)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 138684272
3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 138684274
3-(5,5-Difluoro-2-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 138684275
3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
CID 138684288
3-[3-(Trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
CID 138684289
3-[2-Methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 138684310
3-(3,3-Difluorocyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
CID 138684316
3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
CID 138684341
3-[(1S,2R)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
CID 138684453
3-[(1R,2S)-5,5-difluoro-2-methylcyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
CID 138684454
3-(5,5-Difluoro-2-methylcyclohexyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
CID 138684455
3-(3,3-Difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139295520

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine?
The IUPAC name of 3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine (CID 138684380) is 3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine.
What is the SMILES notation for 3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine?
The canonical SMILES for 3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine is CC1CCC(C(F)(F)F)CC1c1nnc2c(N)ncnn12.
What is the InChIKey of 3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine?
The InChIKey is LUIIWGKKDCHPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c1-6-2-3-7(12(13,14)15)4-8(6)10-19-20-11-9(16)17-5-18-21(10)11/h5-8H,2-4H2,1H3,(H2,16,17,18).
What are the key properties of 3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine?
3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine has a molecular weight of 300.29 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine is sourced from PubChem (CID 138684380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).