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

C15H15F3N6O2 — CID 17469801

IUPAC3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)no1
InChIInChI=1S/C15H15F3N6O2/c1-7-6-11(23-26-7)20-12(25)5-4-10-8(2)19-14-21-13(15(16,17)18)22-24(14)9(10)3/h6H,4-5H2,1-3H3,(H,20,23,25)
InChIKeyAXDGRLLQHSIMMZ-UHFFFAOYSA-N
MW368.32 g/mol
LogP2.63
Rot. Bonds4

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

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 17469801) has the molecular formula C15H15F3N6O2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID17469801
Molecular FormulaC15H15F3N6O2
Molecular Weight368.32 g/mol
Exact Mass368.12
IUPAC Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)no1
InChIInChI=1S/C15H15F3N6O2/c1-7-6-11(23-26-7)20-12(25)5-4-10-8(2)19-14-21-13(15(16,17)18)22-24(14)9(10)3/h6H,4-5H2,1-3H3,(H,20,23,25)
InChIKeyAXDGRLLQHSIMMZ-UHFFFAOYSA-N
XLogP2.63
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 17469801) is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-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-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)no1.
What is the InChIKey of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is AXDGRLLQHSIMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O2/c1-7-6-11(23-26-7)20-12(25)5-4-10-8(2)19-14-21-13(15(16,17)18)22-24(14)9(10)3/h6H,4-5H2,1-3H3,(H,20,23,25).
What are the key properties of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 368.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 17469801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).