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

C13H19N5 — CID 117143260

IUPAC[3-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESCN1CCCC(c2nnc3cc(CN)ccn23)C1
InChIInChI=1S/C13H19N5/c1-17-5-2-3-11(9-17)13-16-15-12-7-10(8-14)4-6-18(12)13/h4,6-7,11H,2-3,5,8-9,14H2,1H3
InChIKeyUNGGHHFPKABHOY-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.00
Rot. Bonds2

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

[3-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (PubChem CID 117143260) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is [3-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[3-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
PubChem CID117143260
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name[3-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESCN1CCCC(c2nnc3cc(CN)ccn23)C1
InChIInChI=1S/C13H19N5/c1-17-5-2-3-11(9-17)13-16-15-12-7-10(8-14)4-6-18(12)13/h4,6-7,11H,2-3,5,8-9,14H2,1H3
InChIKeyUNGGHHFPKABHOY-UHFFFAOYSA-N
XLogP1.00
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143204
[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143246
6-fluoro-3-[(3S)-1-methylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 86687134
[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143329
3-cyclopropyl-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144807
[3-(1-methylpyrrolidin-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143272
3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83640668
6-methyl-3-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138746
[2-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridin-7-yl]methanamine
CID 117133868
3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117144958
[3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143205
[2-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117133612

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The IUPAC name of [3-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (CID 117143260) is [3-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [3-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The canonical SMILES for [3-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is CN1CCCC(c2nnc3cc(CN)ccn23)C1.
What is the InChIKey of [3-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The InChIKey is UNGGHHFPKABHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-17-5-2-3-11(9-17)13-16-15-12-7-10(8-14)4-6-18(12)13/h4,6-7,11H,2-3,5,8-9,14H2,1H3.
What are the key properties of [3-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
[3-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 117143260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).