5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C25H25F3N6 — CID 22433770

IUPAC5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(-c2nc3nc(C)cc(Nc4ccc(C(F)(F)F)cc4N4CCCCC4)n3n2)c1
InChIInChI=1S/C25H25F3N6/c1-16-7-6-8-18(13-16)23-31-24-29-17(2)14-22(34(24)32-23)30-20-10-9-19(25(26,27)28)15-21(20)33-11-4-3-5-12-33/h6-10,13-15,30H,3-5,11-12H2,1-2H3
InChIKeyRHYBNCFJPKDMSV-UHFFFAOYSA-N
MW466.51 g/mol
LogP6.16
Rot. Bonds4

About 5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 22433770) has the molecular formula C25H25F3N6 and a molecular weight of 466.51 g/mol. Its IUPAC name is 5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID22433770
Molecular FormulaC25H25F3N6
Molecular Weight466.51 g/mol
Exact Mass466.21
IUPAC Name5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(-c2nc3nc(C)cc(Nc4ccc(C(F)(F)F)cc4N4CCCCC4)n3n2)c1
InChIInChI=1S/C25H25F3N6/c1-16-7-6-8-18(13-16)23-31-24-29-17(2)14-22(34(24)32-23)30-20-10-9-19(25(26,27)28)15-21(20)33-11-4-3-5-12-33/h6-10,13-15,30H,3-5,11-12H2,1-2H3
InChIKeyRHYBNCFJPKDMSV-UHFFFAOYSA-N
XLogP6.16
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[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-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 22433770) is 5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cccc(-c2nc3nc(C)cc(Nc4ccc(C(F)(F)F)cc4N4CCCCC4)n3n2)c1.
What is the InChIKey of 5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RHYBNCFJPKDMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6/c1-16-7-6-8-18(13-16)23-31-24-29-17(2)14-22(34(24)32-23)30-20-10-9-19(25(26,27)28)15-21(20)33-11-4-3-5-12-33/h6-10,13-15,30H,3-5,11-12H2,1-2H3.
What are the key properties of 5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 466.51 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylphenyl)-N-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 22433770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).