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

C13H10BrN5 — CID 82565961

IUPAC5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(Br)c2)n2ncnc12
InChIInChI=1S/C13H10BrN5/c14-9-3-1-2-8(6-9)11-5-4-10(12(15)16)13-17-7-18-19(11)13/h1-7H,(H3,15,16)
InChIKeyBDVURDOYDAXFQP-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.44
Rot. Bonds2

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

5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide (PubChem CID 82565961) has the molecular formula C13H10BrN5 and a molecular weight of 316.16 g/mol. Its IUPAC name is 5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide.

Molecular Properties

Compound Name5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
PubChem CID82565961
Molecular FormulaC13H10BrN5
Molecular Weight316.16 g/mol
Exact Mass315.01
IUPAC Name5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(Br)c2)n2ncnc12
InChIInChI=1S/C13H10BrN5/c14-9-3-1-2-8(6-9)11-5-4-10(12(15)16)13-17-7-18-19(11)13/h1-7H,(H3,15,16)
InChIKeyBDVURDOYDAXFQP-UHFFFAOYSA-N
XLogP2.44
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565975
2-(3-bromophenyl)benzenecarboximidamide
CID 6344753
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565824
2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide
CID 107279964
5-bromo-2-(4-phenylpyrazol-1-yl)benzenecarboximidamide
CID 114893168
2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide
CID 82823793
4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide
CID 55152641
4-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)benzenecarboximidamide
CID 114904625
3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide
CID 141318088
1-cyclopropyl-6-(3-methoxyphenyl)-2-oxopyridine-3-carboximidamide
CID 82518505
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565674

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The IUPAC name of 5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide (CID 82565961) is 5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide.
What is the SMILES notation for 5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The canonical SMILES for 5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide is [H]/N=C(\N)c1ccc(-c2cccc(Br)c2)n2ncnc12.
What is the InChIKey of 5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The InChIKey is BDVURDOYDAXFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5/c14-9-3-1-2-8(6-9)11-5-4-10(12(15)16)13-17-7-18-19(11)13/h1-7H,(H3,15,16).
What are the key properties of 5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide has a molecular weight of 316.16 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide is sourced from PubChem (CID 82565961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).