2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine

C19H21BrN6 — CID 82566118

IUPAC2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1nc2c(C3=NCCN3)ccc(-c3cccc(Br)c3)n2n1
InChIInChI=1S/C19H21BrN6/c1-25(2)11-8-17-23-19-15(18-21-9-10-22-18)6-7-16(26(19)24-17)13-4-3-5-14(20)12-13/h3-7,12H,8-11H2,1-2H3,(H,21,22)
InChIKeyLSYIZTUODFRGRN-UHFFFAOYSA-N
MW413.32 g/mol
LogP2.61
Rot. Bonds5

About 2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine

2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine (PubChem CID 82566118) has the molecular formula C19H21BrN6 and a molecular weight of 413.32 g/mol. Its IUPAC name is 2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine
PubChem CID82566118
Molecular FormulaC19H21BrN6
Molecular Weight413.32 g/mol
Exact Mass412.10
IUPAC Name2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1nc2c(C3=NCCN3)ccc(-c3cccc(Br)c3)n2n1
InChIInChI=1S/C19H21BrN6/c1-25(2)11-8-17-23-19-15(18-21-9-10-22-18)6-7-16(26(19)24-17)13-4-3-5-14(20)12-13/h3-7,12H,8-11H2,1-2H3,(H,21,22)
InChIKeyLSYIZTUODFRGRN-UHFFFAOYSA-N
XLogP2.61
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 82565369
2-tert-butyl-8-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566055
2-(4-bromo-2-methylphenyl)-4,5-dihydro-1H-imidazole
CID 58041828
2-(chloromethyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566039
5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565975
2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565923
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 115347390
2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole
CID 59715230
2-[3-[(3-bromophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240383
1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole
CID 57394916
2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole
CID 58951733
2-[3-(3-bromophenyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 174281204

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine (CID 82566118) is 2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine is CN(C)CCc1nc2c(C3=NCCN3)ccc(-c3cccc(Br)c3)n2n1.
What is the InChIKey of 2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine?
The InChIKey is LSYIZTUODFRGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN6/c1-25(2)11-8-17-23-19-15(18-21-9-10-22-18)6-7-16(26(19)24-17)13-4-3-5-14(20)12-13/h3-7,12H,8-11H2,1-2H3,(H,21,22).
What are the key properties of 2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine?
2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine has a molecular weight of 413.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 82566118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).