N-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

C13H11Cl2N5O2 — CID 136875194

IUPACN-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESO=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2N5O2/c14-8-1-2-9(15)10(4-8)18-11(21)3-7-5-20-13(16-6-17-20)19-12(7)22/h1-2,4,6-7H,3,5H2,(H,18,21)(H,16,17,19,22)/t7-/m1/s1
InChIKeyHMIZLKKPTWPIFF-SSDOTTSWSA-N
MW340.17 g/mol
LogP2.18
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

N-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide (PubChem CID 136875194) has the molecular formula C13H11Cl2N5O2 and a molecular weight of 340.17 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
PubChem CID136875194
Molecular FormulaC13H11Cl2N5O2
Molecular Weight340.17 g/mol
Exact Mass339.03
IUPAC NameN-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
SMILESO=C(C[C@@H]1Cn2ncnc2NC1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2N5O2/c14-8-1-2-9(15)10(4-8)18-11(21)3-7-5-20-13(16-6-17-20)19-12(7)22/h1-2,4,6-7H,3,5H2,(H,18,21)(H,16,17,19,22)/t7-/m1/s1
InChIKeyHMIZLKKPTWPIFF-SSDOTTSWSA-N
XLogP2.18
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649897
N-(4-methyl-3-nitrophenyl)-2-[(6S)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875235
N-(2,5-dichlorophenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649913
N-(2,5-dichlorophenyl)-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135646857
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
N-(2,5-dichlorophenyl)-2-[2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650006
N-(2,5-dichlorophenyl)-2-(oxetan-3-yl)acetamide
CID 110476456
N-(2,5-dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 138376746
2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide
CID 135886840
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-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide
CID 66289696

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The IUPAC name of 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) is N-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[(6R)-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)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
The InChIKey is HMIZLKKPTWPIFF-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H11Cl2N5O2/c14-8-1-2-9(15)10(4-8)18-11(21)3-7-5-20-13(16-6-17-20)19-12(7)22/h1-2,4,6-7H,3,5H2,(H,18,21)(H,16,17,19,22)/t7-/m1/s1.
What are the key properties of N-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide?
N-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide has a molecular weight of 340.17 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[(6R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 136875194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).