6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C13H22N4 — CID 117148361

IUPAC6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCc2nnc(CC3CCN(C)C3)n2C1
InChIInChI=1S/C13H22N4/c1-10-3-4-12-14-15-13(17(12)8-10)7-11-5-6-16(2)9-11/h10-11H,3-9H2,1-2H3
InChIKeyBZGRHQZBVXWWAF-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.35
Rot. Bonds2

About 6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117148361) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117148361
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCc2nnc(CC3CCN(C)C3)n2C1
InChIInChI=1S/C13H22N4/c1-10-3-4-12-14-15-13(17(12)8-10)7-11-5-6-16(2)9-11/h10-11H,3-9H2,1-2H3
InChIKeyBZGRHQZBVXWWAF-UHFFFAOYSA-N
XLogP1.35
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 117148361) is 6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC1CCc2nnc(CC3CCN(C)C3)n2C1.
What is the InChIKey of 6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BZGRHQZBVXWWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-3-4-12-14-15-13(17(12)8-10)7-11-5-6-16(2)9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 234.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117148361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).