2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide

C8H7ClN4O — CID 1475780

IUPAC2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide
SMILESO=C(CCl)Nc1cccn2ncnc12
InChIInChI=1S/C8H7ClN4O/c9-4-7(14)12-6-2-1-3-13-8(6)10-5-11-13/h1-3,5H,4H2,(H,12,14)
InChIKeyLGGODBGFGRJNFB-UHFFFAOYSA-N
MW210.62 g/mol
LogP0.91
Rot. Bonds2

About 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide

2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide (PubChem CID 1475780) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide
PubChem CID1475780
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide
SMILESO=C(CCl)Nc1cccn2ncnc12
InChIInChI=1S/C8H7ClN4O/c9-4-7(14)12-6-2-1-3-13-8(6)10-5-11-13/h1-3,5H,4H2,(H,12,14)
InChIKeyLGGODBGFGRJNFB-UHFFFAOYSA-N
XLogP0.91
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide?
The IUPAC name of 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide (CID 1475780) is 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide.
What is the SMILES notation for 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide?
The canonical SMILES for 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide is O=C(CCl)Nc1cccn2ncnc12.
What is the InChIKey of 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide?
The InChIKey is LGGODBGFGRJNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c9-4-7(14)12-6-2-1-3-13-8(6)10-5-11-13/h1-3,5H,4H2,(H,12,14).
What are the key properties of 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide?
2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide has a molecular weight of 210.62 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide is sourced from PubChem (CID 1475780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).