3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine

C12H16N4 — CID 83835946

IUPAC3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2ccc(C3CCCNC3)cn12
InChIInChI=1S/C12H16N4/c1-9-14-15-12-5-4-11(8-16(9)12)10-3-2-6-13-7-10/h4-5,8,10,13H,2-3,6-7H2,1H3
InChIKeyKKEMZXQXMTXPBP-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.50
Rot. Bonds1

About 3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine

3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 83835946) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID83835946
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2ccc(C3CCCNC3)cn12
InChIInChI=1S/C12H16N4/c1-9-14-15-12-5-4-11(8-16(9)12)10-3-2-6-13-7-10/h4-5,8,10,13H,2-3,6-7H2,1H3
InChIKeyKKEMZXQXMTXPBP-UHFFFAOYSA-N
XLogP1.50
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-pyrrolidin-3-ylimidazo[1,5-a]pyridine
CID 83831901
3-methyl-2-piperidin-3-ylimidazo[1,2-a]pyridin-6-ol
CID 115038385
7-methyl-3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 79020647
6-bromo-3-methyl-2-piperidin-3-ylimidazo[1,2-a]pyridine
CID 115053243
2-methyl-4-piperidin-3-ylphenol
CID 84663479
6-pyrrolidin-3-yltetrazolo[1,5-a]pyridine
CID 83829240
7-methyl-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054664
3-(4-tert-butylphenyl)piperidine
CID 24904200
N,N-dimethyl-5-piperidin-3-ylpyridin-2-amine
CID 82659230
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
3-(4-methoxyphenyl)piperidine
CID 12937920
3-(4-propan-2-ylphenyl)piperidine
CID 58015975

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 83835946) is 3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2ccc(C3CCCNC3)cn12.
What is the InChIKey of 3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KKEMZXQXMTXPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-14-15-12-5-4-11(8-16(9)12)10-3-2-6-13-7-10/h4-5,8,10,13H,2-3,6-7H2,1H3.
What are the key properties of 3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine?
3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 216.29 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 83835946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).