N-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C25H26F3N5O — CID 135416453

IUPACN-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccc(C(C)C)cc2)n2nc(C(F)(F)F)nc2N1
InChIInChI=1S/C25H26F3N5O/c1-13(2)17-7-9-18(10-8-17)21-20(22(34)30-19-11-6-14(3)12-15(19)4)16(5)29-24-31-23(25(26,27)28)32-33(21)24/h6-13,21H,1-5H3,(H,30,34)(H,29,31,32)
InChIKeySOYXQCNMAQSCAB-UHFFFAOYSA-N
MW469.51 g/mol
LogP5.96
Rot. Bonds4

About N-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135416453) has the molecular formula C25H26F3N5O and a molecular weight of 469.51 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135416453
Molecular FormulaC25H26F3N5O
Molecular Weight469.51 g/mol
Exact Mass469.21
IUPAC NameN-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccc(C(C)C)cc2)n2nc(C(F)(F)F)nc2N1
InChIInChI=1S/C25H26F3N5O/c1-13(2)17-7-9-18(10-8-17)21-20(22(34)30-19-11-6-14(3)12-15(19)4)16(5)29-24-31-23(25(26,27)28)32-33(21)24/h6-13,21H,1-5H3,(H,30,34)(H,29,31,32)
InChIKeySOYXQCNMAQSCAB-UHFFFAOYSA-N
XLogP5.96
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.51
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135416453) is N-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccc(C(C)C)cc2)n2nc(C(F)(F)F)nc2N1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SOYXQCNMAQSCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O/c1-13(2)17-7-9-18(10-8-17)21-20(22(34)30-19-11-6-14(3)12-15(19)4)16(5)29-24-31-23(25(26,27)28)32-33(21)24/h6-13,21H,1-5H3,(H,30,34)(H,29,31,32).
What are the key properties of N-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 469.51 g/mol, XLogP of 5.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-methyl-7-(4-propan-2-ylphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135416453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).