6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine

C14H19BrN4O — CID 139020583

IUPAC6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCOC1(C)CCN(c2nnc3ccc(Br)cn23)CC1
InChIInChI=1S/C14H19BrN4O/c1-3-20-14(2)6-8-18(9-7-14)13-17-16-12-5-4-11(15)10-19(12)13/h4-5,10H,3,6-9H2,1-2H3
InChIKeyQHZQLDHVGPNLTC-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.89
Rot. Bonds3

About 6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 139020583) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID139020583
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCOC1(C)CCN(c2nnc3ccc(Br)cn23)CC1
InChIInChI=1S/C14H19BrN4O/c1-3-20-14(2)6-8-18(9-7-14)13-17-16-12-5-4-11(15)10-19(12)13/h4-5,10H,3,6-9H2,1-2H3
InChIKeyQHZQLDHVGPNLTC-UHFFFAOYSA-N
XLogP2.89
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 139020583) is 6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine is CCOC1(C)CCN(c2nnc3ccc(Br)cn23)CC1.
What is the InChIKey of 6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QHZQLDHVGPNLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-3-20-14(2)6-8-18(9-7-14)13-17-16-12-5-4-11(15)10-19(12)13/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 339.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-ethoxy-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 139020583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).