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

C13H22N4O — CID 81252552

IUPAC7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCn2c(COC3CCNCC3)nnc2C1
InChIInChI=1S/C13H22N4O/c1-10-4-7-17-12(8-10)15-16-13(17)9-18-11-2-5-14-6-3-11/h10-11,14H,2-9H2,1H3
InChIKeyLGOHIHRBQDDRLY-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.13
Rot. Bonds3

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

7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 81252552) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID81252552
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCn2c(COC3CCNCC3)nnc2C1
InChIInChI=1S/C13H22N4O/c1-10-4-7-17-12(8-10)15-16-13(17)9-18-11-2-5-14-6-3-11/h10-11,14H,2-9H2,1H3
InChIKeyLGOHIHRBQDDRLY-UHFFFAOYSA-N
XLogP1.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 81252552) is 7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC1CCn2c(COC3CCNCC3)nnc2C1.
What is the InChIKey of 7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LGOHIHRBQDDRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-4-7-17-12(8-10)15-16-13(17)9-18-11-2-5-14-6-3-11/h10-11,14H,2-9H2,1H3.
What are the key properties of 7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 250.35 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 81252552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).