1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide

C15H18F3N7O — CID 121180472

IUPAC1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3cn(C)nn3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N7O/c1-9-19-12(15(16,17)18)7-13(20-9)25-5-3-10(4-6-25)21-14(26)11-8-24(2)23-22-11/h7-8,10H,3-6H2,1-2H3,(H,21,26)
InChIKeyVFFFHQMNXGVGEQ-UHFFFAOYSA-N
MW369.35 g/mol
LogP1.33
Rot. Bonds3

About 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide

1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide (PubChem CID 121180472) has the molecular formula C15H18F3N7O and a molecular weight of 369.35 g/mol. Its IUPAC name is 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide
PubChem CID121180472
Molecular FormulaC15H18F3N7O
Molecular Weight369.35 g/mol
Exact Mass369.15
IUPAC Name1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3cn(C)nn3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N7O/c1-9-19-12(15(16,17)18)7-13(20-9)25-5-3-10(4-6-25)21-14(26)11-8-24(2)23-22-11/h7-8,10H,3-6H2,1-2H3,(H,21,26)
InChIKeyVFFFHQMNXGVGEQ-UHFFFAOYSA-N
XLogP1.33
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide (CID 121180472) is 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide is Cc1nc(N2CCC(NC(=O)c3cn(C)nn3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is VFFFHQMNXGVGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N7O/c1-9-19-12(15(16,17)18)7-13(20-9)25-5-3-10(4-6-25)21-14(26)11-8-24(2)23-22-11/h7-8,10H,3-6H2,1-2H3,(H,21,26).
What are the key properties of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide?
1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 121180472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).