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

C13H22N4O — CID 117155326

IUPAC2-[(1-methylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
SMILESCN1CCC(Cc2nc3n(n2)C(O)CCC3)CC1
InChIInChI=1S/C13H22N4O/c1-16-7-5-10(6-8-16)9-11-14-12-3-2-4-13(18)17(12)15-11/h10,13,18H,2-9H2,1H3
InChIKeyCKNCCQRMRNGKQV-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.99
Rot. Bonds2

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

2-[(1-methylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol (PubChem CID 117155326) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
PubChem CID117155326
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(1-methylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
SMILESCN1CCC(Cc2nc3n(n2)C(O)CCC3)CC1
InChIInChI=1S/C13H22N4O/c1-16-7-5-10(6-8-16)9-11-14-12-3-2-4-13(18)17(12)15-11/h10,13,18H,2-9H2,1H3
InChIKeyCKNCCQRMRNGKQV-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol (CID 117155326) is 2-[(1-methylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol is CN1CCC(Cc2nc3n(n2)C(O)CCC3)CC1.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
The InChIKey is CKNCCQRMRNGKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-7-5-10(6-8-16)9-11-14-12-3-2-4-13(18)17(12)15-11/h10,13,18H,2-9H2,1H3.
What are the key properties of 2-[(1-methylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
2-[(1-methylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol has a molecular weight of 250.35 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol is sourced from PubChem (CID 117155326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).