2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

C13H14BrN5O — CID 168799403

IUPAC2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCOC(C)n1cc(-c2ccc3nc(Br)nn3c2)cn1
InChIInChI=1S/C13H14BrN5O/c1-3-20-9(2)18-8-11(6-15-18)10-4-5-12-16-13(14)17-19(12)7-10/h4-9H,3H2,1-2H3
InChIKeyYTVHNXLSZUDDMP-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.91
Rot. Bonds4

About 2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 168799403) has the molecular formula C13H14BrN5O and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID168799403
Molecular FormulaC13H14BrN5O
Molecular Weight336.19 g/mol
Exact Mass335.04
IUPAC Name2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCOC(C)n1cc(-c2ccc3nc(Br)nn3c2)cn1
InChIInChI=1S/C13H14BrN5O/c1-3-20-9(2)18-8-11(6-15-18)10-4-5-12-16-13(14)17-19(12)7-10/h4-9H,3H2,1-2H3
InChIKeyYTVHNXLSZUDDMP-UHFFFAOYSA-N
XLogP2.91
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 168799365
4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 89449513
7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline
CID 164521994
4-[1-(1-ethoxyethyl)pyrazol-4-yl]-3-isocyanopyrrolo[1,2-b]pyridazine
CID 123432313
2-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 71711015
CID 102185137
CID 102185137
4-[1-(1-ethoxyethyl)pyrazol-4-yl]-3-isocyano-7-methylpyrrolo[1,2-b]pyridazine
CID 159540241
2-[5-[1-(1-ethoxyethyl)pyrazol-4-yl]-2-nitrophenoxy]-N,N-dimethylethanamine
CID 118703701
6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
CID 42624129
cyclohexane;6-[1-(1-ethoxyethyl)pyrazol-4-yl]-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-nitrophenol
CID 168925146
1-[5-chloro-2-(3,5-difluorophenyl)-3-[1-(1-ethoxyethyl)pyrazol-4-yl]phenyl]ethanamine
CID 67969183
N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-7-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide
CID 89449609

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 168799403) is 2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is CCOC(C)n1cc(-c2ccc3nc(Br)nn3c2)cn1.
What is the InChIKey of 2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is YTVHNXLSZUDDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O/c1-3-20-9(2)18-8-11(6-15-18)10-4-5-12-16-13(14)17-19(12)7-10/h4-9H,3H2,1-2H3.
What are the key properties of 2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 336.19 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[1-(1-ethoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 168799403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).