7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine

C12H17N5 — CID 62673191

IUPAC7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(N2CCNCC2C)n2ncnc2c1
InChIInChI=1S/C12H17N5/c1-9-5-11-14-8-15-17(11)12(6-9)16-4-3-13-7-10(16)2/h5-6,8,10,13H,3-4,7H2,1-2H3
InChIKeyJPTFNBJENAAXOF-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.84
Rot. Bonds1

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

7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 62673191) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID62673191
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(N2CCNCC2C)n2ncnc2c1
InChIInChI=1S/C12H17N5/c1-9-5-11-14-8-15-17(11)12(6-9)16-4-3-13-7-10(16)2/h5-6,8,10,13H,3-4,7H2,1-2H3
InChIKeyJPTFNBJENAAXOF-UHFFFAOYSA-N
XLogP0.84
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 62673191) is 7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(N2CCNCC2C)n2ncnc2c1.
What is the InChIKey of 7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JPTFNBJENAAXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-5-11-14-8-15-17(11)12(6-9)16-4-3-13-7-10(16)2/h5-6,8,10,13H,3-4,7H2,1-2H3.
What are the key properties of 7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine?
7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 231.30 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(2-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 62673191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).