N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide

C14H12ClN5O2 — CID 135400063

IUPACN-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
SMILESCCC(=O)Nc1cc(=O)[nH]c2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C14H12ClN5O2/c1-2-11(21)16-10-7-12(22)17-14-18-13(19-20(10)14)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H,16,21)(H,17,18,19,22)
InChIKeyNOEXGBWMQPGVAS-UHFFFAOYSA-N
MW317.74 g/mol
LogP2.09
Rot. Bonds3

About N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide

N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide (PubChem CID 135400063) has the molecular formula C14H12ClN5O2 and a molecular weight of 317.74 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
PubChem CID135400063
Molecular FormulaC14H12ClN5O2
Molecular Weight317.74 g/mol
Exact Mass317.07
IUPAC NameN-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
SMILESCCC(=O)Nc1cc(=O)[nH]c2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C14H12ClN5O2/c1-2-11(21)16-10-7-12(22)17-14-18-13(19-20(10)14)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H,16,21)(H,17,18,19,22)
InChIKeyNOEXGBWMQPGVAS-UHFFFAOYSA-N
XLogP2.09
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135400147
2-chloro-N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135400174
3-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
CID 135496469
N-[5-hydroxy-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
CID 135520923
N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 944669
1H-1,2,4-Triazole, 1-acetyl-3-(p-chlorophenyl)-5-methyl-
CID 3050487
4-chloro-N-(3-phenyl-1H-1,2,4-triazol-5-yl)benzamide
CID 17500622
2-(4-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 127034141
N-[2-(4-chlorophenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide
CID 135448486
N-[5-hydroxy-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
CID 135448581
N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylbutanamide
CID 135472128
N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide
CID 135519712

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide (CID 135400063) is N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide is CCC(=O)Nc1cc(=O)[nH]c2nc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
The InChIKey is NOEXGBWMQPGVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2/c1-2-11(21)16-10-7-12(22)17-14-18-13(19-20(10)14)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H,16,21)(H,17,18,19,22).
What are the key properties of N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide?
N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide has a molecular weight of 317.74 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide is sourced from PubChem (CID 135400063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).