5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C7H7BrN4 — CID 59589685

IUPAC5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(Br)n2nc(N)nc2c1
InChIInChI=1S/C7H7BrN4/c1-4-2-5(8)12-6(3-4)10-7(9)11-12/h2-3H,1H3,(H2,9,11)
InChIKeyCCCIVMOHDWDFLC-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.38
Rot. Bonds

About 5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59589685) has the molecular formula C7H7BrN4 and a molecular weight of 227.06 g/mol. Its IUPAC name is 5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59589685
Molecular FormulaC7H7BrN4
Molecular Weight227.06 g/mol
Exact Mass225.99
IUPAC Name5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(Br)n2nc(N)nc2c1
InChIInChI=1S/C7H7BrN4/c1-4-2-5(8)12-6(3-4)10-7(9)11-12/h2-3H,1H3,(H2,9,11)
InChIKeyCCCIVMOHDWDFLC-UHFFFAOYSA-N
XLogP1.38
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59589685) is 5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(Br)n2nc(N)nc2c1.
What is the InChIKey of 5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is CCCIVMOHDWDFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4/c1-4-2-5(8)12-6(3-4)10-7(9)11-12/h2-3H,1H3,(H2,9,11).
What are the key properties of 5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 227.06 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59589685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).