2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide

C10H11BrN4O2 — CID 118417981

IUPAC2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1nc2ccc(Br)cn2c1=O
InChIInChI=1S/C10H11BrN4O2/c1-13(2)9(16)6-15-10(17)14-5-7(11)3-4-8(14)12-15/h3-5H,6H2,1-2H3
InChIKeyXHVVZXOJEASHEZ-UHFFFAOYSA-N
MW299.13 g/mol
LogP0.35
Rot. Bonds2

About 2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide

2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide (PubChem CID 118417981) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide
PubChem CID118417981
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1nc2ccc(Br)cn2c1=O
InChIInChI=1S/C10H11BrN4O2/c1-13(2)9(16)6-15-10(17)14-5-7(11)3-4-8(14)12-15/h3-5H,6H2,1-2H3
InChIKeyXHVVZXOJEASHEZ-UHFFFAOYSA-N
XLogP0.35
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide (CID 118417981) is 2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1nc2ccc(Br)cn2c1=O.
What is the InChIKey of 2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide?
The InChIKey is XHVVZXOJEASHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-13(2)9(16)6-15-10(17)14-5-7(11)3-4-8(14)12-15/h3-5H,6H2,1-2H3.
What are the key properties of 2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide?
2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide has a molecular weight of 299.13 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 118417981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).