4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine

C13H20F3N5 — CID 136837676

IUPAC4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine
SMILESCC1CC(C(F)(F)F)n2nc(C3CCC(N)CC3)nc2N1
InChIInChI=1S/C13H20F3N5/c1-7-6-10(13(14,15)16)21-12(18-7)19-11(20-21)8-2-4-9(17)5-3-8/h7-10H,2-6,17H2,1H3,(H,18,19,20)
InChIKeyGNCIBGWLOYGENT-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.57
Rot. Bonds1

About 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine

4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine (PubChem CID 136837676) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine
PubChem CID136837676
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine
SMILESCC1CC(C(F)(F)F)n2nc(C3CCC(N)CC3)nc2N1
InChIInChI=1S/C13H20F3N5/c1-7-6-10(13(14,15)16)21-12(18-7)19-11(20-21)8-2-4-9(17)5-3-8/h7-10H,2-6,17H2,1H3,(H,18,19,20)
InChIKeyGNCIBGWLOYGENT-UHFFFAOYSA-N
XLogP2.57
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine (CID 136837676) is 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine is CC1CC(C(F)(F)F)n2nc(C3CCC(N)CC3)nc2N1.
What is the InChIKey of 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine?
The InChIKey is GNCIBGWLOYGENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-7-6-10(13(14,15)16)21-12(18-7)19-11(20-21)8-2-4-9(17)5-3-8/h7-10H,2-6,17H2,1H3,(H,18,19,20).
What are the key properties of 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine?
4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine has a molecular weight of 303.33 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 136837676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).