2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H12BrN3O2 — CID 65325876

IUPAC2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOc1ccc(Br)c(Cn2nc3ccccn3c2=O)c1
InChIInChI=1S/C14H12BrN3O2/c1-20-11-5-6-12(15)10(8-11)9-18-14(19)17-7-3-2-4-13(17)16-18/h2-8H,9H2,1H3
InChIKeyHLCZPIDRGVMOTO-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.32
Rot. Bonds3

About 2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 65325876) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID65325876
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOc1ccc(Br)c(Cn2nc3ccccn3c2=O)c1
InChIInChI=1S/C14H12BrN3O2/c1-20-11-5-6-12(15)10(8-11)9-18-14(19)17-7-3-2-4-13(17)16-18/h2-8H,9H2,1H3
InChIKeyHLCZPIDRGVMOTO-UHFFFAOYSA-N
XLogP2.32
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579366
2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 51106188
2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42954924
2-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115633546
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea
CID 47076648
1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80582220
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 51113728
3-[(2-bromo-5-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 65325780
1-[(2-bromo-5-methoxyphenyl)methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47066663
2-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43061554
2-[2-[2-(4-methoxyphenyl)azepan-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42950845

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 65325876) is 2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is COc1ccc(Br)c(Cn2nc3ccccn3c2=O)c1.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is HLCZPIDRGVMOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-20-11-5-6-12(15)10(8-11)9-18-14(19)17-7-3-2-4-13(17)16-18/h2-8H,9H2,1H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 334.17 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 65325876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).