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

C16H24N4 — CID 117146723

IUPAC8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccn2c(CC3CCCCN3C(C)C)nnc12
InChIInChI=1S/C16H24N4/c1-12(2)19-9-5-4-8-14(19)11-15-17-18-16-13(3)7-6-10-20(15)16/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3
InChIKeyIKTHZYGOYSDXEL-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.84
Rot. Bonds3

About 8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117146723) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117146723
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccn2c(CC3CCCCN3C(C)C)nnc12
InChIInChI=1S/C16H24N4/c1-12(2)19-9-5-4-8-14(19)11-15-17-18-16-13(3)7-6-10-20(15)16/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3
InChIKeyIKTHZYGOYSDXEL-UHFFFAOYSA-N
XLogP2.84
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117146723) is 8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is Cc1cccn2c(CC3CCCCN3C(C)C)nnc12.
What is the InChIKey of 8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is IKTHZYGOYSDXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12(2)19-9-5-4-8-14(19)11-15-17-18-16-13(3)7-6-10-20(15)16/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3.
What are the key properties of 8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 272.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117146723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).