(2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol

C18H22N4O2 — CID 94182902

IUPAC(2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol
SMILESCc1cccc(OC[C@H](O)CNCCc2nnc3ccccn23)c1
InChIInChI=1S/C18H22N4O2/c1-14-5-4-6-16(11-14)24-13-15(23)12-19-9-8-18-21-20-17-7-2-3-10-22(17)18/h2-7,10-11,15,19,23H,8-9,12-13H2,1H3/t15-/m1/s1
InChIKeyQOJYLJRYFLKBSF-OAHLLOKOSA-N
MW326.40 g/mol
LogP1.61
Rot. Bonds8

About (2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol

(2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol (PubChem CID 94182902) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol
PubChem CID94182902
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol
SMILESCc1cccc(OC[C@H](O)CNCCc2nnc3ccccn23)c1
InChIInChI=1S/C18H22N4O2/c1-14-5-4-6-16(11-14)24-13-15(23)12-19-9-8-18-21-20-17-7-2-3-10-22(17)18/h2-7,10-11,15,19,23H,8-9,12-13H2,1H3/t15-/m1/s1
InChIKeyQOJYLJRYFLKBSF-OAHLLOKOSA-N
XLogP1.61
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol;hydrochloride
CID 76968419
1-(3-methylphenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045312
1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 60908884
(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 97356530
1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride
CID 117067234
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94677835
4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide
CID 54937901
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585686
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
1-ethyl-3-[2-(3-methylphenoxy)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111015155
1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61039860

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol (CID 94182902) is (2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol is Cc1cccc(OC[C@H](O)CNCCc2nnc3ccccn23)c1.
What is the InChIKey of (2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol?
The InChIKey is QOJYLJRYFLKBSF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-14-5-4-6-16(11-14)24-13-15(23)12-19-9-8-18-21-20-17-7-2-3-10-22(17)18/h2-7,10-11,15,19,23H,8-9,12-13H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol?
(2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol has a molecular weight of 326.40 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 94182902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).