2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine

C11H16N6 — CID 117257850

IUPAC2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESNc1ccn2nc(CN3CCNCC3)nc2c1
InChIInChI=1S/C11H16N6/c12-9-1-4-17-11(7-9)14-10(15-17)8-16-5-2-13-3-6-16/h1,4,7,13H,2-3,5-6,8,12H2
InChIKeyWSPDUFSXPTVHNK-UHFFFAOYSA-N
MW232.29 g/mol
LogP-0.28
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine

2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine (PubChem CID 117257850) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
PubChem CID117257850
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESNc1ccn2nc(CN3CCNCC3)nc2c1
InChIInChI=1S/C11H16N6/c12-9-1-4-17-11(7-9)14-10(15-17)8-16-5-2-13-3-6-16/h1,4,7,13H,2-3,5-6,8,12H2
InChIKeyWSPDUFSXPTVHNK-UHFFFAOYSA-N
XLogP-0.28
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989716
7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990026
8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258003
2-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117133413
2-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117134413
2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 67774181
7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990080
5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride
CID 132899139
4-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)morpholine
CID 117257528
methyl 2-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257939
5-(piperazin-1-ylmethyl)triazolo[1,5-a]pyridine
CID 83887715
2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117257862

Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine (CID 117257850) is 2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine is Nc1ccn2nc(CN3CCNCC3)nc2c1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The InChIKey is WSPDUFSXPTVHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c12-9-1-4-17-11(7-9)14-10(15-17)8-16-5-2-13-3-6-16/h1,4,7,13H,2-3,5-6,8,12H2.
What are the key properties of 2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine has a molecular weight of 232.29 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 117257850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).