7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine

C14H11ClF3N5 — CID 87887705

IUPAC7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
SMILESCC(C)Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nncn12
InChIInChI=1S/C14H11ClF3N5/c1-6(2)20-13-11(10-8(17)3-7(16)4-9(10)18)12(15)21-14-22-19-5-23(13)14/h3-6,20H,1-2H3
InChIKeyXRBXZJKMXHLWLS-UHFFFAOYSA-N
MW341.72 g/mol
LogP3.68
Rot. Bonds3

About 7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine

7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine (PubChem CID 87887705) has the molecular formula C14H11ClF3N5 and a molecular weight of 341.72 g/mol. Its IUPAC name is 7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine.

Molecular Properties

Compound Name7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
PubChem CID87887705
Molecular FormulaC14H11ClF3N5
Molecular Weight341.72 g/mol
Exact Mass341.07
IUPAC Name7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
SMILESCC(C)Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nncn12
InChIInChI=1S/C14H11ClF3N5/c1-6(2)20-13-11(10-8(17)3-7(16)4-9(10)18)12(15)21-14-22-19-5-23(13)14/h3-6,20H,1-2H3
InChIKeyXRBXZJKMXHLWLS-UHFFFAOYSA-N
XLogP3.68
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-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-3-methyl-N-propan-2-yl-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 89343246
7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine
CID 11350065
2-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141176842
7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine
CID 58941474
5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine
CID 149159512
2-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-4-amine;4-chloro-N-propan-2-yl-3-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyridazin-2-amine
CID 161092415
5-chloro-N-cyclopropyl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 162646186
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
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
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
7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine
CID 11518566
5-chloro-6-[4-[3-(dimethylamino)prop-1-ynyl]-2,6-difluorophenyl]-N-(3-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 175363434

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine?
The IUPAC name of 7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine (CID 87887705) is 7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine.
What is the SMILES notation for 7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine?
The canonical SMILES for 7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine is CC(C)Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nncn12.
What is the InChIKey of 7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine?
The InChIKey is XRBXZJKMXHLWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N5/c1-6(2)20-13-11(10-8(17)3-7(16)4-9(10)18)12(15)21-14-22-19-5-23(13)14/h3-6,20H,1-2H3.
What are the key properties of 7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine?
7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine has a molecular weight of 341.72 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine is sourced from PubChem (CID 87887705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).