2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide

C15H14F3N5O3 — CID 136875274

IUPAC2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESCc1nc2n(n1)C[C@H](CC(=O)Nc1cccc(OC(F)(F)F)c1)C(=O)N2
InChIInChI=1S/C15H14F3N5O3/c1-8-19-14-21-13(25)9(7-23(14)22-8)5-12(24)20-10-3-2-4-11(6-10)26-15(16,17)18/h2-4,6,9H,5,7H2,1H3,(H,20,24)(H,19,21,22,25)/t9-/m0/s1
InChIKeyYTGHZGQFXVVDPC-VIFPVBQESA-N
MW369.30 g/mol
LogP2.08
Rot. Bonds4

About 2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide

2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 136875274) has the molecular formula C15H14F3N5O3 and a molecular weight of 369.30 g/mol. Its IUPAC name is 2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID136875274
Molecular FormulaC15H14F3N5O3
Molecular Weight369.30 g/mol
Exact Mass369.10
IUPAC Name2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESCc1nc2n(n1)C[C@H](CC(=O)Nc1cccc(OC(F)(F)F)c1)C(=O)N2
InChIInChI=1S/C15H14F3N5O3/c1-8-19-14-21-13(25)9(7-23(14)22-8)5-12(24)20-10-3-2-4-11(6-10)26-15(16,17)18/h2-4,6,9H,5,7H2,1H3,(H,20,24)(H,19,21,22,25)/t9-/m0/s1
InChIKeyYTGHZGQFXVVDPC-VIFPVBQESA-N
XLogP2.08
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide with MolForge

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Related Compounds

2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 136875272
N-(3,5-dimethoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 135994155
N-(4-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875244
N-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875248
N-(2-ethoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875253
2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide
CID 135898452
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 135994279
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(6S)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875205
2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 66420618
2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38205069

Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide (CID 136875274) is 2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide is Cc1nc2n(n1)C[C@H](CC(=O)Nc1cccc(OC(F)(F)F)c1)C(=O)N2.
What is the InChIKey of 2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is YTGHZGQFXVVDPC-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14F3N5O3/c1-8-19-14-21-13(25)9(7-23(14)22-8)5-12(24)20-10-3-2-4-11(6-10)26-15(16,17)18/h2-4,6,9H,5,7H2,1H3,(H,20,24)(H,19,21,22,25)/t9-/m0/s1.
What are the key properties of 2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide?
2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 369.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 136875274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).