7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C7H7BrN4 — CID 169217326

IUPAC7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESNc1nnc2cc(CBr)ccn12
InChIInChI=1S/C7H7BrN4/c8-4-5-1-2-12-6(3-5)10-11-7(12)9/h1-3H,4H2,(H2,9,11)
InChIKeyCGKWLLBSAMVSDI-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.21
Rot. Bonds1

About 7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine

7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 169217326) has the molecular formula C7H7BrN4 and a molecular weight of 227.06 g/mol. Its IUPAC name is 7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound Name7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID169217326
Molecular FormulaC7H7BrN4
Molecular Weight227.06 g/mol
Exact Mass225.99
IUPAC Name7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESNc1nnc2cc(CBr)ccn12
InChIInChI=1S/C7H7BrN4/c8-4-5-1-2-12-6(3-5)10-11-7(12)9/h1-3H,4H2,(H2,9,11)
InChIKeyCGKWLLBSAMVSDI-UHFFFAOYSA-N
XLogP1.21
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine with MolForge

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Related Compounds

2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
CID 117143193
[3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143426
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine
CID 83827622
3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
CID 117143189
[3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143392
2-amino-5-(bromomethyl)benzamide
CID 67811564
2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetaldehyde
CID 83887597
2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83867856
3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol
CID 117143369
N-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine
CID 83871132
6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 105429663
6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 590435

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of 7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 169217326) is 7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for 7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for 7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine is Nc1nnc2cc(CBr)ccn12.
What is the InChIKey of 7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is CGKWLLBSAMVSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4/c8-4-5-1-2-12-6(3-5)10-11-7(12)9/h1-3H,4H2,(H2,9,11).
What are the key properties of 7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 227.06 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 169217326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).