1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol

C18H22N4O — CID 71976366

IUPAC1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol
SMILESCc1ccc(C)c(C(O)CN(C)Cc2nnc3ccccn23)c1
InChIInChI=1S/C18H22N4O/c1-13-7-8-14(2)15(10-13)16(23)11-21(3)12-18-20-19-17-6-4-5-9-22(17)18/h4-10,16,23H,11-12H2,1-3H3
InChIKeyKNLXFFKFUXFHNJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.51
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol

1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol (PubChem CID 71976366) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol
PubChem CID71976366
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol
SMILESCc1ccc(C)c(C(O)CN(C)Cc2nnc3ccccn23)c1
InChIInChI=1S/C18H22N4O/c1-13-7-8-14(2)15(10-13)16(23)11-21(3)12-18-20-19-17-6-4-5-9-22(17)18/h4-10,16,23H,11-12H2,1-3H3
InChIKeyKNLXFFKFUXFHNJ-UHFFFAOYSA-N
XLogP2.51
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol 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 1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol (CID 71976366) is 1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol is Cc1ccc(C)c(C(O)CN(C)Cc2nnc3ccccn23)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol?
The InChIKey is KNLXFFKFUXFHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-7-8-14(2)15(10-13)16(23)11-21(3)12-18-20-19-17-6-4-5-9-22(17)18/h4-10,16,23H,11-12H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol?
1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol has a molecular weight of 310.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 71976366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).