3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide

C17H23F3N6O — CID 31340144

IUPAC3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC1CCN(C)CC1
InChIInChI=1S/C17H23F3N6O/c1-10-13(4-5-14(27)22-12-6-8-25(3)9-7-12)11(2)26-16(21-10)23-15(24-26)17(18,19)20/h12H,4-9H2,1-3H3,(H,22,27)
InChIKeyMAGWQHMVEFKDED-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.90
Rot. Bonds4

About 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 31340144) has the molecular formula C17H23F3N6O and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID31340144
Molecular FormulaC17H23F3N6O
Molecular Weight384.41 g/mol
Exact Mass384.19
IUPAC Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC1CCN(C)CC1
InChIInChI=1S/C17H23F3N6O/c1-10-13(4-5-14(27)22-12-6-8-25(3)9-7-12)11(2)26-16(21-10)23-15(24-26)17(18,19)20/h12H,4-9H2,1-3H3,(H,22,27)
InChIKeyMAGWQHMVEFKDED-UHFFFAOYSA-N
XLogP1.90
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide (CID 31340144) is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC1CCN(C)CC1.
What is the InChIKey of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is MAGWQHMVEFKDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6O/c1-10-13(4-5-14(27)22-12-6-8-25(3)9-7-12)11(2)26-16(21-10)23-15(24-26)17(18,19)20/h12H,4-9H2,1-3H3,(H,22,27).
What are the key properties of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide?
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 384.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 31340144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).