N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H15ClF3N5 — CID 10222209

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C18H15ClF3N5/c19-16-15(14-11(21)5-10(20)6-12(14)22)17(27-18(26-16)23-7-24-27)25-13-4-8-1-2-9(13)3-8/h5-9,13,25H,1-4H2
InChIKeyLFRSVEQTQSFFOH-UHFFFAOYSA-N
MW393.80 g/mol
LogP4.46
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 10222209) has the molecular formula C18H15ClF3N5 and a molecular weight of 393.80 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID10222209
Molecular FormulaC18H15ClF3N5
Molecular Weight393.80 g/mol
Exact Mass393.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C18H15ClF3N5/c19-16-15(14-11(21)5-10(20)6-12(14)22)17(27-18(26-16)23-7-24-27)25-13-4-8-1-2-9(13)3-8/h5-9,13,25H,1-4H2
InChIKeyLFRSVEQTQSFFOH-UHFFFAOYSA-N
XLogP4.46
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.80
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[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

5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 162646186
7-(8-azabicyclo[3.2.1]octan-8-yl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166799903
5-chloro-6-(2,4,6-trifluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 15483676
7-(bromomethyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 87779510
5-chloro-N-(2-deuterio-3-methylbutan-2-yl)-6-(2,6-difluoro-4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 165025635
N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 79075583
1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine
CID 58819889
5-chloro-6-(2,6-difluoro-4-methylphenyl)-7-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 146739414
5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-N-(3,3-dimethylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 15544759
5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-7-(3-fluorocyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 19361664
5-chloro-N-(3,5-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076124
N-(2-bicyclo[2.2.1]heptanyl)-3,5,6-trichloropyridin-2-amine
CID 102751237

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 10222209) is N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Fc1cc(F)c(-c2c(Cl)nc3ncnn3c2NC2CC3CCC2C3)c(F)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LFRSVEQTQSFFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N5/c19-16-15(14-11(21)5-10(20)6-12(14)22)17(27-18(26-16)23-7-24-27)25-13-4-8-1-2-9(13)3-8/h5-9,13,25H,1-4H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 393.80 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 10222209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).