[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

C13H19N5 — CID 117143329

IUPAC[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESNCc1ccn2c(CC3CCCNC3)nnc2c1
InChIInChI=1S/C13H19N5/c14-8-10-3-5-18-12(6-10)16-17-13(18)7-11-2-1-4-15-9-11/h3,5-6,11,15H,1-2,4,7-9,14H2
InChIKeyQNVHNJOWUNCNQO-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.73
Rot. Bonds3

About [3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (PubChem CID 117143329) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is [3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
PubChem CID117143329
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESNCc1ccn2c(CC3CCCNC3)nnc2c1
InChIInChI=1S/C13H19N5/c14-8-10-3-5-18-12(6-10)16-17-13(18)7-11-2-1-4-15-9-11/h3,5-6,11,15H,1-2,4,7-9,14H2
InChIKeyQNVHNJOWUNCNQO-UHFFFAOYSA-N
XLogP0.73
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143246
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 62690462
6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139379
3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117143951
[2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 117133738
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 62690629
2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
CID 117143193
methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140275
6-(piperidin-3-ylmethyl)imidazo[1,5-a]pyrimidine
CID 105470150
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141091
6-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 117106274
3-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 82280682

Frequently Asked Questions

What is the IUPAC name of [3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The IUPAC name of [3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (CID 117143329) is [3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The canonical SMILES for [3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is NCc1ccn2c(CC3CCCNC3)nnc2c1.
What is the InChIKey of [3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The InChIKey is QNVHNJOWUNCNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c14-8-10-3-5-18-12(6-10)16-17-13(18)7-11-2-1-4-15-9-11/h3,5-6,11,15H,1-2,4,7-9,14H2.
What are the key properties of [3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 117143329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).