3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

C16H18N6O — CID 18126831

IUPAC3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccnc(N2CCCC(c3nnc4ccccn34)C2)n1
InChIInChI=1S/C16H18N6O/c1-23-14-7-8-17-16(18-14)21-9-4-5-12(11-21)15-20-19-13-6-2-3-10-22(13)15/h2-3,6-8,10,12H,4-5,9,11H2,1H3
InChIKeyBUOHYTKJYBFWSW-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.91
Rot. Bonds3

About 3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 18126831) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID18126831
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccnc(N2CCCC(c3nnc4ccccn34)C2)n1
InChIInChI=1S/C16H18N6O/c1-23-14-7-8-17-16(18-14)21-9-4-5-12(11-21)15-20-19-13-6-2-3-10-22(13)15/h2-3,6-8,10,12H,4-5,9,11H2,1H3
InChIKeyBUOHYTKJYBFWSW-UHFFFAOYSA-N
XLogP1.91
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 18126831) is 3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is COc1ccnc(N2CCCC(c3nnc4ccccn34)C2)n1.
What is the InChIKey of 3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BUOHYTKJYBFWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-23-14-7-8-17-16(18-14)21-9-4-5-12(11-21)15-20-19-13-6-2-3-10-22(13)15/h2-3,6-8,10,12H,4-5,9,11H2,1H3.
What are the key properties of 3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 310.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 18126831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).