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

C12H20N4 — CID 117149999

IUPAC5-methyl-3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCCc2nnc(C3CCCN3C)n21
InChIInChI=1S/C12H20N4/c1-9-5-3-7-11-13-14-12(16(9)11)10-6-4-8-15(10)2/h9-10H,3-8H2,1-2H3
InChIKeyMEMMKWOOSMDXNH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.94
Rot. Bonds1

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

5-methyl-3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117149999) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-methyl-3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-methyl-3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117149999
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-methyl-3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCCc2nnc(C3CCCN3C)n21
InChIInChI=1S/C12H20N4/c1-9-5-3-7-11-13-14-12(16(9)11)10-6-4-8-15(10)2/h9-10H,3-8H2,1-2H3
InChIKeyMEMMKWOOSMDXNH-UHFFFAOYSA-N
XLogP1.94
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.94
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-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-methyl-3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 117149999) is 5-methyl-3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-methyl-3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-methyl-3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC1CCCc2nnc(C3CCCN3C)n21.
What is the InChIKey of 5-methyl-3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MEMMKWOOSMDXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-5-3-7-11-13-14-12(16(9)11)10-6-4-8-15(10)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-methyl-3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
5-methyl-3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 220.32 g/mol, XLogP of 1.94, 1 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-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117149999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).