2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide

C14H18F3N5O2 — CID 92826509

IUPAC2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C
InChIInChI=1S/C14H18F3N5O2/c1-7(6-24-4)18-11(23)5-10-8(2)19-13-20-12(14(15,16)17)21-22(13)9(10)3/h7H,5-6H2,1-4H3,(H,18,23)/t7-/m0/s1
InChIKeyHRLOQYUDYYGINC-ZETCQYMHSA-N
MW345.33 g/mol
LogP1.45
Rot. Bonds5

About 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide (PubChem CID 92826509) has the molecular formula C14H18F3N5O2 and a molecular weight of 345.33 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
PubChem CID92826509
Molecular FormulaC14H18F3N5O2
Molecular Weight345.33 g/mol
Exact Mass345.14
IUPAC Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C
InChIInChI=1S/C14H18F3N5O2/c1-7(6-24-4)18-11(23)5-10-8(2)19-13-20-12(14(15,16)17)21-22(13)9(10)3/h7H,5-6H2,1-4H3,(H,18,23)/t7-/m0/s1
InChIKeyHRLOQYUDYYGINC-ZETCQYMHSA-N
XLogP1.45
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide with MolForge

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Related Compounds

N-propyl-3-(2,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 16195315
N-(2,2-Diethoxyethyl)-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-6-YL}propanamide
CID 9551397
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)acetamide
CID 8147555
3-[5,7-Dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one
CID 17450895
1-(2,6-Dimethylmorpholin-4-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 18152045
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 31340144
2-(2-Cyclohexyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-morpholino-1-ethanone
CID 50750339
N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 24235185
2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide
CID 42925014
N-Butyl-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-6-YL}propanamide
CID 20863616
N-butan-2-yl-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20863619
N-[3-(Propan-2-yloxy)propyl]-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-6-YL}propanamide
CID 20863620

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide (CID 92826509) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide is COC[C@H](C)NC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C.
What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The InChIKey is HRLOQYUDYYGINC-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H18F3N5O2/c1-7(6-24-4)18-11(23)5-10-8(2)19-13-20-12(14(15,16)17)21-22(13)9(10)3/h7H,5-6H2,1-4H3,(H,18,23)/t7-/m0/s1.
What are the key properties of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide has a molecular weight of 345.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 92826509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).