8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C15H15BrN4 — CID 104591764

IUPAC8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(CNc1nc2c(Br)cccn2n1)c1ccccc1
InChIInChI=1S/C15H15BrN4/c1-11(12-6-3-2-4-7-12)10-17-15-18-14-13(16)8-5-9-20(14)19-15/h2-9,11H,10H2,1H3,(H,17,19)
InChIKeyXGZYVFRXCHNDFO-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.71
Rot. Bonds4

About 8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 104591764) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID104591764
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(CNc1nc2c(Br)cccn2n1)c1ccccc1
InChIInChI=1S/C15H15BrN4/c1-11(12-6-3-2-4-7-12)10-17-15-18-14-13(16)8-5-9-20(14)19-15/h2-9,11H,10H2,1H3,(H,17,19)
InChIKeyXGZYVFRXCHNDFO-UHFFFAOYSA-N
XLogP3.71
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 104591764) is 8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC(CNc1nc2c(Br)cccn2n1)c1ccccc1.
What is the InChIKey of 8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is XGZYVFRXCHNDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-11(12-6-3-2-4-7-12)10-17-15-18-14-13(16)8-5-9-20(14)19-15/h2-9,11H,10H2,1H3,(H,17,19).
What are the key properties of 8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 331.22 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 104591764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).