5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide

C19H21BrN6O — CID 82565975

IUPAC5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(Br)c2)n2nc(CCN3CCOCC3)nc12
InChIInChI=1S/C19H21BrN6O/c20-14-3-1-2-13(12-14)16-5-4-15(18(21)22)19-23-17(24-26(16)19)6-7-25-8-10-27-11-9-25/h1-5,12H,6-11H2,(H3,21,22)
InChIKeyYJQYJSJASBSYDE-UHFFFAOYSA-N
MW429.32 g/mol
LogP2.32
Rot. Bonds5

About 5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide

5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide (PubChem CID 82565975) has the molecular formula C19H21BrN6O and a molecular weight of 429.32 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
PubChem CID82565975
Molecular FormulaC19H21BrN6O
Molecular Weight429.32 g/mol
Exact Mass428.10
IUPAC Name5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(Br)c2)n2nc(CCN3CCOCC3)nc12
InChIInChI=1S/C19H21BrN6O/c20-14-3-1-2-13(12-14)16-5-4-15(18(21)22)19-23-17(24-26(16)19)6-7-25-8-10-27-11-9-25/h1-5,12H,6-11H2,(H3,21,22)
InChIKeyYJQYJSJASBSYDE-UHFFFAOYSA-N
XLogP2.32
TPSA92.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565974
5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565961
2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565923
2-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565906
2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565908
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565824
5-(3-bromophenyl)-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 82565369
methyl 5-methyl-2-(2-morpholin-4-ylethyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565513
4-[2-[2-(3-bromophenyl)imidazol-1-yl]ethyl]morpholine
CID 82562319
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565674
2-(3-bromophenyl)benzenecarboximidamide
CID 6344753
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

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The IUPAC name of 5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide (CID 82565975) is 5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide.
What is the SMILES notation for 5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The canonical SMILES for 5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide is [H]/N=C(\N)c1ccc(-c2cccc(Br)c2)n2nc(CCN3CCOCC3)nc12.
What is the InChIKey of 5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The InChIKey is YJQYJSJASBSYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN6O/c20-14-3-1-2-13(12-14)16-5-4-15(18(21)22)19-23-17(24-26(16)19)6-7-25-8-10-27-11-9-25/h1-5,12H,6-11H2,(H3,21,22).
What are the key properties of 5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide has a molecular weight of 429.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide is sourced from PubChem (CID 82565975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).