N-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H14F3N5 — CID 133365561

IUPACN-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(NC2C3C4CCC(C4)C23)n2ncnc2n1
InChIInChI=1S/C14H14F3N5/c15-14(16,17)8-4-9(22-13(20-8)18-5-19-22)21-12-10-6-1-2-7(3-6)11(10)12/h4-7,10-12,21H,1-3H2
InChIKeyYUBAAAYOSIDGGD-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.60
Rot. Bonds2

About N-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133365561) has the molecular formula C14H14F3N5 and a molecular weight of 309.30 g/mol. Its IUPAC name is N-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133365561
Molecular FormulaC14H14F3N5
Molecular Weight309.30 g/mol
Exact Mass309.12
IUPAC NameN-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(NC2C3C4CCC(C4)C23)n2ncnc2n1
InChIInChI=1S/C14H14F3N5/c15-14(16,17)8-4-9(22-13(20-8)18-5-19-22)21-12-10-6-1-2-7(3-6)11(10)12/h4-7,10-12,21H,1-3H2
InChIKeyYUBAAAYOSIDGGD-UHFFFAOYSA-N
XLogP2.60
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[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

N-cyclopentyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1429528
5-ethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133365586
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 167783420
N-(cyclohexylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3227275
3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-azatricyclo[4.2.1.02,5]nonane
CID 56795545
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133330058
2-[ethyl-[3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclobutyl]amino]acetic acid
CID 122061941
3-methyl-1-[4-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]butan-1-one
CID 133305583
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56790910
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 42942271
N-(2-cyclobutyl-1-phenylethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133439544
N-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133311880

Frequently Asked Questions

What is the IUPAC name of N-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133365561) is N-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)c1cc(NC2C3C4CCC(C4)C23)n2ncnc2n1.
What is the InChIKey of N-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YUBAAAYOSIDGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5/c15-14(16,17)8-4-9(22-13(20-8)18-5-19-22)21-12-10-6-1-2-7(3-6)11(10)12/h4-7,10-12,21H,1-3H2.
What are the key properties of N-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 309.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tricyclo[3.2.1.02,4]octanyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133365561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).