N-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide

C13H9ClN4O — CID 11837351

IUPACN-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1nnc2cccc(Cl)n12)c1ccccc1
InChIInChI=1S/C13H9ClN4O/c14-10-7-4-8-11-16-17-13(18(10)11)15-12(19)9-5-2-1-3-6-9/h1-8H,(H,15,17,19)
InChIKeyBRIGGXHVFKQCID-UHFFFAOYSA-N
MW272.70 g/mol
LogP2.63
Rot. Bonds2

About N-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide

N-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide (PubChem CID 11837351) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is N-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
PubChem CID11837351
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC NameN-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1nnc2cccc(Cl)n12)c1ccccc1
InChIInChI=1S/C13H9ClN4O/c14-10-7-4-8-11-16-17-13(18(10)11)15-12(19)9-5-2-1-3-6-9/h1-8H,(H,15,17,19)
InChIKeyBRIGGXHVFKQCID-UHFFFAOYSA-N
XLogP2.63
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
The IUPAC name of N-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide (CID 11837351) is N-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide.
What is the SMILES notation for N-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
The canonical SMILES for N-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide is O=C(Nc1nnc2cccc(Cl)n12)c1ccccc1.
What is the InChIKey of N-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
The InChIKey is BRIGGXHVFKQCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-10-7-4-8-11-16-17-13(18(10)11)15-12(19)9-5-2-1-3-6-9/h1-8H,(H,15,17,19).
What are the key properties of N-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
N-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide has a molecular weight of 272.70 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 11837351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).