6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H18BrN5 — CID 114504757

IUPAC6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC1CN(C)CCC1Nc1nc2ccc(Br)cn2n1
InChIInChI=1S/C13H18BrN5/c1-9-7-18(2)6-5-11(9)15-13-16-12-4-3-10(14)8-19(12)17-13/h3-4,8-9,11H,5-7H2,1-2H3,(H,15,17)
InChIKeyPZBAORKDDOKRPJ-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.24
Rot. Bonds2

About 6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 114504757) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is 6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID114504757
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC1CN(C)CCC1Nc1nc2ccc(Br)cn2n1
InChIInChI=1S/C13H18BrN5/c1-9-7-18(2)6-5-11(9)15-13-16-12-4-3-10(14)8-19(12)17-13/h3-4,8-9,11H,5-7H2,1-2H3,(H,15,17)
InChIKeyPZBAORKDDOKRPJ-UHFFFAOYSA-N
XLogP2.24
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 114504757) is 6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC1CN(C)CCC1Nc1nc2ccc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is PZBAORKDDOKRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-9-7-18(2)6-5-11(9)15-13-16-12-4-3-10(14)8-19(12)17-13/h3-4,8-9,11H,5-7H2,1-2H3,(H,15,17).
What are the key properties of 6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 324.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 114504757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).