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

C14H18F3N5 — CID 56815109

IUPAC5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC2CCC(C(F)(F)F)CC2)n2ncnc2n1
InChIInChI=1S/C14H18F3N5/c1-2-10-7-12(22-13(21-10)18-8-19-22)20-11-5-3-9(4-6-11)14(15,16)17/h7-9,11,20H,2-6H2,1H3
InChIKeyDHSVEWPOLPBGDD-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.22
Rot. Bonds3

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

5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56815109) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID56815109
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC Name5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC2CCC(C(F)(F)F)CC2)n2ncnc2n1
InChIInChI=1S/C14H18F3N5/c1-2-10-7-12(22-13(21-10)18-8-19-22)20-11-5-3-9(4-6-11)14(15,16)17/h7-9,11,20H,2-6H2,1H3
InChIKeyDHSVEWPOLPBGDD-UHFFFAOYSA-N
XLogP3.22
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-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

Related Compounds

Istisociclib
CID 146502834
Dsm-74
CID 25263414
N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743063
N~2~-[(Trans-4-Aminocyclohexyl)methyl]-N~4~-(3-Cyclopropyl-1h-Pyrazol-5-Yl)pyrimidine-2,4-Diamine
CID 91809513
5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
N-(3,5-Difluoro-4-(trifluoromethyl)phenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347104
N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1460791
5-ethyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259245
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine
CID 91800715
6-methyl-N-prop-2-enyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 3231155
5-methyl-N-[4-(2,2,2-trifluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347245

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 56815109) is 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NC2CCC(C(F)(F)F)CC2)n2ncnc2n1.
What is the InChIKey of 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DHSVEWPOLPBGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5/c1-2-10-7-12(22-13(21-10)18-8-19-22)20-11-5-3-9(4-6-11)14(15,16)17/h7-9,11,20H,2-6H2,1H3.
What are the key properties of 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 313.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56815109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).