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

C15H14F3N5O2 — CID 136875272

IUPAC2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc2n(n1)C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N2
InChIInChI=1S/C15H14F3N5O2/c1-8-19-14-21-13(25)9(7-23(14)22-8)5-12(24)20-11-4-2-3-10(6-11)15(16,17)18/h2-4,6,9H,5,7H2,1H3,(H,20,24)(H,19,21,22,25)/t9-/m0/s1
InChIKeyPWNVXCJDVUFXGT-VIFPVBQESA-N
MW353.30 g/mol
LogP2.20
Rot. Bonds3

About 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

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 (PubChem CID 136875272) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 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-(trifluoromethyl)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-(trifluoromethyl)phenyl]acetamide
PubChem CID136875272
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC Name2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc2n(n1)C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N2
InChIInChI=1S/C15H14F3N5O2/c1-8-19-14-21-13(25)9(7-23(14)22-8)5-12(24)20-11-4-2-3-10(6-11)15(16,17)18/h2-4,6,9H,5,7H2,1H3,(H,20,24)(H,19,21,22,25)/t9-/m0/s1
InChIKeyPWNVXCJDVUFXGT-VIFPVBQESA-N
XLogP2.20
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(trifluoromethoxy)phenyl]acetamide
CID 136875274
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-(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
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-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1300512
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-[(11S)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2242059
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 122278445
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7332974
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 40505300
2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135589758
3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
CID 108952355

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-(trifluoromethyl)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-(trifluoromethyl)phenyl]acetamide (CID 136875272) is 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.
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-(trifluoromethyl)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-(trifluoromethyl)phenyl]acetamide is Cc1nc2n(n1)C[C@H](CC(=O)Nc1cccc(C(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-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PWNVXCJDVUFXGT-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14F3N5O2/c1-8-19-14-21-13(25)9(7-23(14)22-8)5-12(24)20-11-4-2-3-10(6-11)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-(trifluoromethyl)phenyl]acetamide?
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 has a molecular weight of 353.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 136875272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).