6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol

C14H15N5O — CID 79775807

IUPAC6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol
SMILESCC(NCc1ccc(O)cn1)c1nnc2ccccn12
InChIInChI=1S/C14H15N5O/c1-10(15-8-11-5-6-12(20)9-16-11)14-18-17-13-4-2-3-7-19(13)14/h2-7,9-10,15,20H,8H2,1H3
InChIKeyYYVIHWYWQJYAQG-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.68
Rot. Bonds4

About 6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol

6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol (PubChem CID 79775807) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol
PubChem CID79775807
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol
SMILESCC(NCc1ccc(O)cn1)c1nnc2ccccn12
InChIInChI=1S/C14H15N5O/c1-10(15-8-11-5-6-12(20)9-16-11)14-18-17-13-4-2-3-7-19(13)14/h2-7,9-10,15,20H,8H2,1H3
InChIKeyYYVIHWYWQJYAQG-UHFFFAOYSA-N
XLogP1.68
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol (CID 79775807) is 6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol is CC(NCc1ccc(O)cn1)c1nnc2ccccn12.
What is the InChIKey of 6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol?
The InChIKey is YYVIHWYWQJYAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10(15-8-11-5-6-12(20)9-16-11)14-18-17-13-4-2-3-7-19(13)14/h2-7,9-10,15,20H,8H2,1H3.
What are the key properties of 6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol?
6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol has a molecular weight of 269.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 79775807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).