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

C12H7Cl2N5O2 — CID 135400146

IUPAC2,4-dichloro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c2ncnn12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2N5O2/c13-6-1-2-7(8(14)3-6)11(21)17-9-4-10(20)18-12-15-5-16-19(9)12/h1-5H,(H,17,21)(H,15,16,18,20)
InChIKeyKNFFHUFLGCSWMN-UHFFFAOYSA-N
MW324.13 g/mol
LogP1.98
Rot. Bonds2

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

2,4-dichloro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide (PubChem CID 135400146) has the molecular formula C12H7Cl2N5O2 and a molecular weight of 324.13 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
PubChem CID135400146
Molecular FormulaC12H7Cl2N5O2
Molecular Weight324.13 g/mol
Exact Mass323.00
IUPAC Name2,4-dichloro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c2ncnn12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2N5O2/c13-6-1-2-7(8(14)3-6)11(21)17-9-4-10(20)18-12-15-5-16-19(9)12/h1-5H,(H,17,21)(H,15,16,18,20)
InChIKeyKNFFHUFLGCSWMN-UHFFFAOYSA-N
XLogP1.98
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3959697
3,4-dichloro-N-(1H-1,2,4-triazol-3-yl)benzamide
CID 17385460
2-fluoro-N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135465188
2-Chloro-N-(1-methyl-1H-tetrazol-5-yl)-benzamide
CID 5076145
7-(2,4-Dichloro-phenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid amide
CID 650084
1-[7-(2,4-Dichlorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 660633
(3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone
CID 892383
2,4-dichloro-N'-[2-(1H-1,2,4-triazol-1-yl)ethanimidoyl]benzenecarbohydrazide
CID 16195073
2-chloro-N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135513634
N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135456285
4-(2,4-dichlorobenzoyl)-4H-1,2,4-triazol-3-amine
CID 888175
4-(2,6-dichlorobenzoyl)-4H-1,2,4-triazol-3-amine
CID 891423

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide (CID 135400146) is 2,4-dichloro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide is O=C(Nc1cc(=O)[nH]c2ncnn12)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The InChIKey is KNFFHUFLGCSWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N5O2/c13-6-1-2-7(8(14)3-6)11(21)17-9-4-10(20)18-12-15-5-16-19(9)12/h1-5H,(H,17,21)(H,15,16,18,20).
What are the key properties of 2,4-dichloro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
2,4-dichloro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide has a molecular weight of 324.13 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide is sourced from PubChem (CID 135400146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).