4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide

C13H11BrN6O — CID 70929399

IUPAC4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide
SMILESNNC(=O)c1ccc(Nc2nc3c(Br)cccn3n2)cc1
InChIInChI=1S/C13H11BrN6O/c14-10-2-1-7-20-11(10)17-13(19-20)16-9-5-3-8(4-6-9)12(21)18-15/h1-7H,15H2,(H,16,19)(H,18,21)
InChIKeyJZRKYIWRRQBJQU-UHFFFAOYSA-N
MW347.18 g/mol
LogP1.84
Rot. Bonds3

About 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide (PubChem CID 70929399) has the molecular formula C13H11BrN6O and a molecular weight of 347.18 g/mol. Its IUPAC name is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide.

Molecular Properties

Compound Name4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide
PubChem CID70929399
Molecular FormulaC13H11BrN6O
Molecular Weight347.18 g/mol
Exact Mass346.02
IUPAC Name4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide
SMILESNNC(=O)c1ccc(Nc2nc3c(Br)cccn3n2)cc1
InChIInChI=1S/C13H11BrN6O/c14-10-2-1-7-20-11(10)17-13(19-20)16-9-5-3-8(4-6-9)12(21)18-15/h1-7H,15H2,(H,16,19)(H,18,21)
InChIKeyJZRKYIWRRQBJQU-UHFFFAOYSA-N
XLogP1.84
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide?
The IUPAC name of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide (CID 70929399) is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide.
What is the SMILES notation for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide?
The canonical SMILES for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide is NNC(=O)c1ccc(Nc2nc3c(Br)cccn3n2)cc1.
What is the InChIKey of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide?
The InChIKey is JZRKYIWRRQBJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN6O/c14-10-2-1-7-20-11(10)17-13(19-20)16-9-5-3-8(4-6-9)12(21)18-15/h1-7H,15H2,(H,16,19)(H,18,21).
What are the key properties of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide?
4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide has a molecular weight of 347.18 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzohydrazide is sourced from PubChem (CID 70929399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).