7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine

C15H22N4O — CID 117142935

IUPAC7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccn2c(C3CCN(C(C)C)CC3)nnc2c1
InChIInChI=1S/C15H22N4O/c1-11(2)18-7-4-12(5-8-18)15-17-16-14-10-13(20-3)6-9-19(14)15/h6,9-12H,4-5,7-8H2,1-3H3
InChIKeyCTNRZNUQGOTDSW-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.33
Rot. Bonds3

About 7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine

7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117142935) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117142935
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccn2c(C3CCN(C(C)C)CC3)nnc2c1
InChIInChI=1S/C15H22N4O/c1-11(2)18-7-4-12(5-8-18)15-17-16-14-10-13(20-3)6-9-19(14)15/h6,9-12H,4-5,7-8H2,1-3H3
InChIKeyCTNRZNUQGOTDSW-UHFFFAOYSA-N
XLogP2.33
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117142935) is 7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccn2c(C3CCN(C(C)C)CC3)nnc2c1.
What is the InChIKey of 7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is CTNRZNUQGOTDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)18-7-4-12(5-8-18)15-17-16-14-10-13(20-3)6-9-19(14)15/h6,9-12H,4-5,7-8H2,1-3H3.
What are the key properties of 7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 274.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117142935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).