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

C11H17N3O — CID 117148241

IUPAC6-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCc2nnc(C3CCOC3)n2C1
InChIInChI=1S/C11H17N3O/c1-8-2-3-10-12-13-11(14(10)6-8)9-4-5-15-7-9/h8-9H,2-7H2,1H3
InChIKeyGFTLGBPVVZSUNO-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.36
Rot. Bonds1

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

6-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117148241) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117148241
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name6-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCc2nnc(C3CCOC3)n2C1
InChIInChI=1S/C11H17N3O/c1-8-2-3-10-12-13-11(14(10)6-8)9-4-5-15-7-9/h8-9H,2-7H2,1H3
InChIKeyGFTLGBPVVZSUNO-UHFFFAOYSA-N
XLogP1.36
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 117148241) is 6-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC1CCc2nnc(C3CCOC3)n2C1.
What is the InChIKey of 6-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GFTLGBPVVZSUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-2-3-10-12-13-11(14(10)6-8)9-4-5-15-7-9/h8-9H,2-7H2,1H3.
What are the key properties of 6-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
6-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 207.28 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117148241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).