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

C13H22N4O — CID 117150834

IUPAC[3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
SMILESCN1CCC(c2nnc3n2CCC(CO)C3)CC1
InChIInChI=1S/C13H22N4O/c1-16-5-3-11(4-6-16)13-15-14-12-8-10(9-18)2-7-17(12)13/h10-11,18H,2-9H2,1H3
InChIKeyQSTXIEINXZGNHU-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.64
Rot. Bonds2

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

[3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol (PubChem CID 117150834) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
PubChem CID117150834
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
SMILESCN1CCC(c2nnc3n2CCC(CO)C3)CC1
InChIInChI=1S/C13H22N4O/c1-16-5-3-11(4-6-16)13-15-14-12-8-10(9-18)2-7-17(12)13/h10-11,18H,2-9H2,1H3
InChIKeyQSTXIEINXZGNHU-UHFFFAOYSA-N
XLogP0.64
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The IUPAC name of [3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol (CID 117150834) is [3-(1-methylpiperidin-4-yl)-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-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol is CN1CCC(c2nnc3n2CCC(CO)C3)CC1.
What is the InChIKey of [3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The InChIKey is QSTXIEINXZGNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-5-3-11(4-6-16)13-15-14-12-8-10(9-18)2-7-17(12)13/h10-11,18H,2-9H2,1H3.
What are the key properties of [3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
[3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol has a molecular weight of 250.35 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol is sourced from PubChem (CID 117150834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).