[3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol

C14H24N4O — CID 117150946

IUPAC[3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
SMILESCN1CCCC(Cc2nnc3n2CCC(CO)C3)C1
InChIInChI=1S/C14H24N4O/c1-17-5-2-3-11(9-17)7-13-15-16-14-8-12(10-19)4-6-18(13)14/h11-12,19H,2-10H2,1H3
InChIKeyLGZLLULIYXSNGY-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.72
Rot. Bonds3

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

[3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol (PubChem CID 117150946) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
PubChem CID117150946
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
SMILESCN1CCCC(Cc2nnc3n2CCC(CO)C3)C1
InChIInChI=1S/C14H24N4O/c1-17-5-2-3-11(9-17)7-13-15-16-14-8-12(10-19)4-6-18(13)14/h11-12,19H,2-10H2,1H3
InChIKeyLGZLLULIYXSNGY-UHFFFAOYSA-N
XLogP0.72
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol (CID 117150946) is [3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol is CN1CCCC(Cc2nnc3n2CCC(CO)C3)C1.
What is the InChIKey of [3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The InChIKey is LGZLLULIYXSNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-17-5-2-3-11(9-17)7-13-15-16-14-8-12(10-19)4-6-18(13)14/h11-12,19H,2-10H2,1H3.
What are the key properties of [3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
[3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol is sourced from PubChem (CID 117150946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).