5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

C13H18N4 — CID 117141381

IUPAC5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccc2nnc(CC3CCN(C)C3)n12
InChIInChI=1S/C13H18N4/c1-10-4-3-5-12-14-15-13(17(10)12)8-11-6-7-16(2)9-11/h3-5,11H,6-9H2,1-2H3
InChIKeyJMXMPOYBCGONMU-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.53
Rot. Bonds2

About 5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117141381) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117141381
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccc2nnc(CC3CCN(C)C3)n12
InChIInChI=1S/C13H18N4/c1-10-4-3-5-12-14-15-13(17(10)12)8-11-6-7-16(2)9-11/h3-5,11H,6-9H2,1-2H3
InChIKeyJMXMPOYBCGONMU-UHFFFAOYSA-N
XLogP1.53
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117141381) is 5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is Cc1cccc2nnc(CC3CCN(C)C3)n12.
What is the InChIKey of 5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JMXMPOYBCGONMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-4-3-5-12-14-15-13(17(10)12)8-11-6-7-16(2)9-11/h3-5,11H,6-9H2,1-2H3.
What are the key properties of 5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 230.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117141381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).