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

C14H11ClF3N5O2 — CID 136875205

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(6S)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESO=C(C[C@H]1Cn2ncnc2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H11ClF3N5O2/c15-10-2-1-8(4-9(10)14(16,17)18)21-11(24)3-7-5-23-13(19-6-20-23)22-12(7)25/h1-2,4,6-7H,3,5H2,(H,21,24)(H,19,20,22,25)/t7-/m0/s1
InChIKeyFKRITBHMYNWICE-ZETCQYMHSA-N
MW373.72 g/mol
LogP2.55
Rot. Bonds3

About 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

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 (PubChem CID 136875205) has the molecular formula C14H11ClF3N5O2 and a molecular weight of 373.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(6S)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
PubChem CID136875205
Molecular FormulaC14H11ClF3N5O2
Molecular Weight373.72 g/mol
Exact Mass373.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(6S)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESO=C(C[C@H]1Cn2ncnc2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H11ClF3N5O2/c15-10-2-1-8(4-9(10)14(16,17)18)21-11(24)3-7-5-23-13(19-6-20-23)22-12(7)25/h1-2,4,6-7H,3,5H2,(H,21,24)(H,19,20,22,25)/t7-/m0/s1
InChIKeyFKRITBHMYNWICE-ZETCQYMHSA-N
XLogP2.55
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875194
N-(4-ethoxyphenyl)-2-(5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 135994279
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-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262421
N-(3-chloro-4-methylphenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635991
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7916465
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915
2-(3-amino-1,2,4-triazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 61016205
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-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-2-ylmethylamino)acetamide
CID 108999180

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(C[C@H]1Cn2ncnc2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 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?
The InChIKey is FKRITBHMYNWICE-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H11ClF3N5O2/c15-10-2-1-8(4-9(10)14(16,17)18)21-11(24)3-7-5-23-13(19-6-20-23)22-12(7)25/h1-2,4,6-7H,3,5H2,(H,21,24)(H,19,20,22,25)/t7-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 373.72 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 136875205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).