1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C14H16F3N7O — CID 71810847

IUPAC1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C14H16F3N7O/c15-14(16,17)6-19-13(25)10-1-3-23(4-2-10)11-5-12(21-8-20-11)24-9-18-7-22-24/h5,7-10H,1-4,6H2,(H,19,25)
InChIKeyVMYKHMVYLRPQJX-UHFFFAOYSA-N
MW355.32 g/mol
LogP0.95
Rot. Bonds4

About 1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 71810847) has the molecular formula C14H16F3N7O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID71810847
Molecular FormulaC14H16F3N7O
Molecular Weight355.32 g/mol
Exact Mass355.14
IUPAC Name1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C14H16F3N7O/c15-14(16,17)6-19-13(25)10-1-3-23(4-2-10)11-5-12(21-8-20-11)24-9-18-7-22-24/h5,7-10H,1-4,6H2,(H,19,25)
InChIKeyVMYKHMVYLRPQJX-UHFFFAOYSA-N
XLogP0.95
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-cyclopropylpiperidine-3-carboxamide
CID 71810874
1-[6-(1H-1,2,4-triazol-1-yl)pyridazin-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 71810968
1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134799114
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-(2-(6-oxopyridazin-1(6H)-yl)ethyl)piperidine-4-carboxamide
CID 72719805
1-[6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxamide
CID 72719811
N-(2-methylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 134798422
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-(4-hydroxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 136259809
N-[1-(2,2-difluoroethyl)-1H-pyrazol-3-yl]-1-(pyrazin-2-yl)piperidine-4-carboxamide
CID 71863253
4-methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 156315501
N-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56788966
(1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)piperidin-4-yl)(4,4-difluoropiperidin-1-yl)methanone
CID 90600572
(1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)piperidin-4-yl)(4-(trifluoromethyl)piperidin-1-yl)methanone
CID 90600573

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 71810847) is 1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1CCN(c2cc(-n3cncn3)ncn2)CC1.
What is the InChIKey of 1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is VMYKHMVYLRPQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N7O/c15-14(16,17)6-19-13(25)10-1-3-23(4-2-10)11-5-12(21-8-20-11)24-9-18-7-22-24/h5,7-10H,1-4,6H2,(H,19,25).
What are the key properties of 1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 71810847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).