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

C13H19N5 — CID 116989841

IUPAC8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccn2nc(CC3CNCCN3C)nc12
InChIInChI=1S/C13H19N5/c1-10-4-3-6-18-13(10)15-12(16-18)8-11-9-14-5-7-17(11)2/h3-4,6,11,14H,5,7-9H2,1-2H3
InChIKeyOCCMNSKQJNBHOK-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.48
Rot. Bonds2

About 8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 116989841) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID116989841
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccn2nc(CC3CNCCN3C)nc12
InChIInChI=1S/C13H19N5/c1-10-4-3-6-18-13(10)15-12(16-18)8-11-9-14-5-7-17(11)2/h3-4,6,11,14H,5,7-9H2,1-2H3
InChIKeyOCCMNSKQJNBHOK-UHFFFAOYSA-N
XLogP0.48
TPSA45.46 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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136735
2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117136107
8-methyl-2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117135835
8-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136871
8-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136836
8-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136108
8-methoxy-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136667
8-methyl-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136604
8-methyl-2-(thian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136854
1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole
CID 84636732
8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136981
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136994

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 116989841) is 8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccn2nc(CC3CNCCN3C)nc12.
What is the InChIKey of 8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is OCCMNSKQJNBHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-4-3-6-18-13(10)15-12(16-18)8-11-9-14-5-7-17(11)2/h3-4,6,11,14H,5,7-9H2,1-2H3.
What are the key properties of 8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 245.33 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 116989841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).