5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H20F3N5 — CID 143823904

IUPAC5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2ncnn2c(NC2CCC(C(F)(F)F)CC2)c1C
InChIInChI=1S/C15H20F3N5/c1-3-12-9(2)13(23-14(22-12)19-8-20-23)21-11-6-4-10(5-7-11)15(16,17)18/h8,10-11,21H,3-7H2,1-2H3
InChIKeyJXEFELRNPKLJKD-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.53
Rot. Bonds3

About 5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143823904) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is 5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID143823904
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2ncnn2c(NC2CCC(C(F)(F)F)CC2)c1C
InChIInChI=1S/C15H20F3N5/c1-3-12-9(2)13(23-14(22-12)19-8-20-23)21-11-6-4-10(5-7-11)15(16,17)18/h8,10-11,21H,3-7H2,1-2H3
InChIKeyJXEFELRNPKLJKD-UHFFFAOYSA-N
XLogP3.53
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 143823904) is 5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1nc2ncnn2c(NC2CCC(C(F)(F)F)CC2)c1C.
What is the InChIKey of 5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JXEFELRNPKLJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-3-12-9(2)13(23-14(22-12)19-8-20-23)21-11-6-4-10(5-7-11)15(16,17)18/h8,10-11,21H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 327.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143823904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).