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

C14H20N4 — CID 117146706

IUPAC8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccn2c(CC3CCCCN3C)nnc12
InChIInChI=1S/C14H20N4/c1-11-6-5-9-18-13(15-16-14(11)18)10-12-7-3-4-8-17(12)2/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyXIPTWFVMUXVDNR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.06
Rot. Bonds2

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

8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117146706) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117146706
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccn2c(CC3CCCCN3C)nnc12
InChIInChI=1S/C14H20N4/c1-11-6-5-9-18-13(15-16-14(11)18)10-12-7-3-4-8-17(12)2/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyXIPTWFVMUXVDNR-UHFFFAOYSA-N
XLogP2.06
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146723
8-methyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146664
8-methyl-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136735
8-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147073
3-[(2-chlorophenyl)methyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117146970
5-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117141686
7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151442
3-[(1-methylpyrrolidin-2-yl)methyl]pyridazine
CID 117105994
8-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136871
8-methyl-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136604
8-chloro-3-(thian-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146698
5-methyl-2-[(1-methylpiperidin-2-yl)methyl]imidazo[1,2-a]pyridine
CID 117132185

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117146706) is 8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is Cc1cccn2c(CC3CCCCN3C)nnc12.
What is the InChIKey of 8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is XIPTWFVMUXVDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11-6-5-9-18-13(15-16-14(11)18)10-12-7-3-4-8-17(12)2/h5-6,9,12H,3-4,7-8,10H2,1-2H3.
What are the key properties of 8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 244.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117146706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).