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

C17H19F3N6O2 — CID 38880375

IUPAC3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
SMILESCc1cc(CN(C)C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)no1
InChIInChI=1S/C17H19F3N6O2/c1-9-7-12(24-28-9)8-25(4)14(27)6-5-13-10(2)21-16-22-15(17(18,19)20)23-26(16)11(13)3/h7H,5-6,8H2,1-4H3
InChIKeyZOUGYJUVRDTTGG-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.65
Rot. Bonds5

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

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide (PubChem CID 38880375) has the molecular formula C17H19F3N6O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
PubChem CID38880375
Molecular FormulaC17H19F3N6O2
Molecular Weight396.37 g/mol
Exact Mass396.15
IUPAC Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
SMILESCc1cc(CN(C)C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)no1
InChIInChI=1S/C17H19F3N6O2/c1-9-7-12(24-28-9)8-25(4)14(27)6-5-13-10(2)21-16-22-15(17(18,19)20)23-26(16)11(13)3/h7H,5-6,8H2,1-4H3
InChIKeyZOUGYJUVRDTTGG-UHFFFAOYSA-N
XLogP2.65
TPSA89.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
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-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
The IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide (CID 38880375) is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide is Cc1cc(CN(C)C(=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-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
The InChIKey is ZOUGYJUVRDTTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O2/c1-9-7-12(24-28-9)8-25(4)14(27)6-5-13-10(2)21-16-22-15(17(18,19)20)23-26(16)11(13)3/h7H,5-6,8H2,1-4H3.
What are the key properties of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide has a molecular weight of 396.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 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-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide is sourced from PubChem (CID 38880375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).