2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol

C13H17N7O — CID 66269970

IUPAC2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNCCc2nnc3ccccn23)nn1
InChIInChI=1S/C13H17N7O/c21-8-7-19-10-11(15-18-19)9-14-5-4-13-17-16-12-3-1-2-6-20(12)13/h1-3,6,10,14,21H,4-5,7-9H2
InChIKeyNKLLGEZPWUXZTA-UHFFFAOYSA-N
MW287.33 g/mol
LogP-0.35
Rot. Bonds7

About 2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol

2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol (PubChem CID 66269970) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
PubChem CID66269970
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNCCc2nnc3ccccn23)nn1
InChIInChI=1S/C13H17N7O/c21-8-7-19-10-11(15-18-19)9-14-5-4-13-17-16-12-3-1-2-6-20(12)13/h1-3,6,10,14,21H,4-5,7-9H2
InChIKeyNKLLGEZPWUXZTA-UHFFFAOYSA-N
XLogP-0.35
TPSA93.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol with MolForge

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Related Compounds

2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66269075
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
N-[(4-bromophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 27657524
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
N-(thiophen-2-ylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 28656331
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
2-[4-[(2-methylsulfanylethylamino)methyl]triazol-1-yl]ethanol
CID 66270211
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propanenitrile
CID 66270547
1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 103398634
N-[(3-methylphenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 28656281
2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]benzonitrile
CID 103605630
2-[4-[(prop-2-ynylamino)methyl]triazol-1-yl]ethanol
CID 66270343

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol (CID 66269970) is 2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol is OCCn1cc(CNCCc2nnc3ccccn23)nn1.
What is the InChIKey of 2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol?
The InChIKey is NKLLGEZPWUXZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O/c21-8-7-19-10-11(15-18-19)9-14-5-4-13-17-16-12-3-1-2-6-20(12)13/h1-3,6,10,14,21H,4-5,7-9H2.
What are the key properties of 2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol?
2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol has a molecular weight of 287.33 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66269970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).