(2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone

C15H20N4O — CID 84578205

IUPAC(2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
SMILESCc1nnc2cc(C(=O)N3C(C)CCCC3C)ccn12
InChIInChI=1S/C15H20N4O/c1-10-5-4-6-11(2)19(10)15(20)13-7-8-18-12(3)16-17-14(18)9-13/h7-11H,4-6H2,1-3H3
InChIKeyOGGLXOXVVIYZOT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.44
Rot. Bonds1

About (2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone

(2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone (PubChem CID 84578205) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
PubChem CID84578205
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
SMILESCc1nnc2cc(C(=O)N3C(C)CCCC3C)ccn12
InChIInChI=1S/C15H20N4O/c1-10-5-4-6-11(2)19(10)15(20)13-7-8-18-12(3)16-17-14(18)9-13/h7-11H,4-6H2,1-3H3
InChIKeyOGGLXOXVVIYZOT-UHFFFAOYSA-N
XLogP2.44
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone (CID 84578205) is (2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone is Cc1nnc2cc(C(=O)N3C(C)CCCC3C)ccn12.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone?
The InChIKey is OGGLXOXVVIYZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-5-4-6-11(2)19(10)15(20)13-7-8-18-12(3)16-17-14(18)9-13/h7-11H,4-6H2,1-3H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone?
(2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone is sourced from PubChem (CID 84578205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).