7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

C12H17N5 — CID 116989716

IUPAC7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccn2nc(CN3CCNCC3)nc2c1
InChIInChI=1S/C12H17N5/c1-10-2-5-17-12(8-10)14-11(15-17)9-16-6-3-13-4-7-16/h2,5,8,13H,3-4,6-7,9H2,1H3
InChIKeyXPLGIUPSHMIIBW-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.44
Rot. Bonds2

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

7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 116989716) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID116989716
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccn2nc(CN3CCNCC3)nc2c1
InChIInChI=1S/C12H17N5/c1-10-2-5-17-12(8-10)14-11(15-17)9-16-6-3-13-4-7-16/h2,5,8,13H,3-4,6-7,9H2,1H3
InChIKeyXPLGIUPSHMIIBW-UHFFFAOYSA-N
XLogP0.44
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117257850
7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135577
7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990026
7-methyl-2-(2-piperazin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989777
7-methyl-2-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989776
2-(methoxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171439840
N-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]ethanamine
CID 116989689
8-chloro-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258003
2-(3-methoxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117133412
7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990080
7-methyl-2-piperidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83964859
1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine
CID 117246928

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 116989716) is 7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccn2nc(CN3CCNCC3)nc2c1.
What is the InChIKey of 7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XPLGIUPSHMIIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-10-2-5-17-12(8-10)14-11(15-17)9-16-6-3-13-4-7-16/h2,5,8,13H,3-4,6-7,9H2,1H3.
What are the key properties of 7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 231.30 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 116989716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).