1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol

C13H18N4O2 — CID 137337341

IUPAC1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C13H18N4O2/c18-9-11(19)10-4-7-16(8-5-10)13-15-14-12-3-1-2-6-17(12)13/h1-3,6,10-11,18-19H,4-5,7-9H2
InChIKeyHPEUAENEYXHTJY-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.30
Rot. Bonds3

About 1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol

1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol (PubChem CID 137337341) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol
PubChem CID137337341
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C13H18N4O2/c18-9-11(19)10-4-7-16(8-5-10)13-15-14-12-3-1-2-6-17(12)13/h1-3,6,10-11,18-19H,4-5,7-9H2
InChIKeyHPEUAENEYXHTJY-UHFFFAOYSA-N
XLogP0.30
TPSA73.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203022
3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 155507234
(3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol
CID 162630814
N-(cyclohexylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203059
[(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol
CID 97153137
2-amino-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 24695884
3-cyclopentyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 53203453
(5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97188426
3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
CID 83278566
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 53203046
N-[3-(N-methylanilino)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 83273982
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 53203526

Frequently Asked Questions

What is the IUPAC name of 1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol (CID 137337341) is 1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol is OCC(O)C1CCN(c2nnc3ccccn23)CC1.
What is the InChIKey of 1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol?
The InChIKey is HPEUAENEYXHTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-9-11(19)10-4-7-16(8-5-10)13-15-14-12-3-1-2-6-17(12)13/h1-3,6,10-11,18-19H,4-5,7-9H2.
What are the key properties of 1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol?
1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol has a molecular weight of 262.31 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol is sourced from PubChem (CID 137337341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).