6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

C13H18N4 — CID 117130107

IUPAC6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc2nc(CC3CCCNC3)nn2c1
InChIInChI=1S/C13H18N4/c1-10-4-5-13-15-12(16-17(13)9-10)7-11-3-2-6-14-8-11/h4-5,9,11,14H,2-3,6-8H2,1H3
InChIKeyNKTHMUXSZBCCMC-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.58
Rot. Bonds2

About 6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117130107) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117130107
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc2nc(CC3CCCNC3)nn2c1
InChIInChI=1S/C13H18N4/c1-10-4-5-13-15-12(16-17(13)9-10)7-11-3-2-6-14-8-11/h4-5,9,11,14H,2-3,6-8H2,1H3
InChIKeyNKTHMUXSZBCCMC-UHFFFAOYSA-N
XLogP1.58
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

R121919
CID 9821250
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
2-(Cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779675
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025
6-chloro-1-methyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227530

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117130107) is 6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc2nc(CC3CCCNC3)nn2c1.
What is the InChIKey of 6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NKTHMUXSZBCCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-4-5-13-15-12(16-17(13)9-10)7-11-3-2-6-14-8-11/h4-5,9,11,14H,2-3,6-8H2,1H3.
What are the key properties of 6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 230.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117130107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).