2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C12H17N5 — CID 117136994

IUPAC2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESNc1cccn2nc(CC3CCCNC3)nc12
InChIInChI=1S/C12H17N5/c13-10-4-2-6-17-12(10)15-11(16-17)7-9-3-1-5-14-8-9/h2,4,6,9,14H,1,3,5,7-8,13H2
InChIKeyQPNVWAOFSYGTMF-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.85
Rot. Bonds2

About 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine

2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 117136994) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID117136994
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESNc1cccn2nc(CC3CCCNC3)nc12
InChIInChI=1S/C12H17N5/c13-10-4-2-6-17-12(10)15-11(16-17)7-9-3-1-5-14-8-9/h2,4,6,9,14H,1,3,5,7-8,13H2
InChIKeyQPNVWAOFSYGTMF-UHFFFAOYSA-N
XLogP0.85
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117136050
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117132321
2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136724
2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136884
2-(aminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 82566665
6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117130107
8-amino-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254798
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130058
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117130151
8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 116989841
2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117258010
8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136981

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 117136994) is 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine is Nc1cccn2nc(CC3CCCNC3)nc12.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is QPNVWAOFSYGTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c13-10-4-2-6-17-12(10)15-11(16-17)7-9-3-1-5-14-8-9/h2,4,6,9,14H,1,3,5,7-8,13H2.
What are the key properties of 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 231.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 117136994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).