2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

C15H13BrN4O2 — CID 9021001

IUPAC2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(COc1cccc(Br)c1)NCc1nnc2ccccn12
InChIInChI=1S/C15H13BrN4O2/c16-11-4-3-5-12(8-11)22-10-15(21)17-9-14-19-18-13-6-1-2-7-20(13)14/h1-8H,9-10H2,(H,17,21)
InChIKeyPJQLUBSDSSBZLR-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.19
Rot. Bonds5

About 2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (PubChem CID 9021001) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
PubChem CID9021001
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC Name2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(COc1cccc(Br)c1)NCc1nnc2ccccn12
InChIInChI=1S/C15H13BrN4O2/c16-11-4-3-5-12(8-11)22-10-15(21)17-9-14-19-18-13-6-1-2-7-20(13)14/h1-8H,9-10H2,(H,17,21)
InChIKeyPJQLUBSDSSBZLR-UHFFFAOYSA-N
XLogP2.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 71702040
2-(2,6-dimethylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 27848457
2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021061
2-(2-phenylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021053
2-(4-bromo-2-methylphenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021035
2-(3-aminophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 65349831
3,3-diphenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9291191
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021118
3-methyl-2-[(2-phenoxyacetyl)amino]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 78810198
2-(4-phenylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947550
2-(4-propan-2-ylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947721
4-oxo-4-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 40709596

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (CID 9021001) is 2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is O=C(COc1cccc(Br)c1)NCc1nnc2ccccn12.
What is the InChIKey of 2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The InChIKey is PJQLUBSDSSBZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2/c16-11-4-3-5-12(8-11)22-10-15(21)17-9-14-19-18-13-6-1-2-7-20(13)14/h1-8H,9-10H2,(H,17,21).
What are the key properties of 2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide has a molecular weight of 361.20 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 9021001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).