2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol

C10H20N4O2 — CID 104759404

IUPAC2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
SMILESCC(C)OCCNCc1cn(CCO)nn1
InChIInChI=1S/C10H20N4O2/c1-9(2)16-6-3-11-7-10-8-14(4-5-15)13-12-10/h8-9,11,15H,3-7H2,1-2H3
InChIKeyAWTXJARFRAEJRI-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.22
Rot. Bonds8

About 2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol

2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol (PubChem CID 104759404) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
PubChem CID104759404
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
SMILESCC(C)OCCNCc1cn(CCO)nn1
InChIInChI=1S/C10H20N4O2/c1-9(2)16-6-3-11-7-10-8-14(4-5-15)13-12-10/h8-9,11,15H,3-7H2,1-2H3
InChIKeyAWTXJARFRAEJRI-UHFFFAOYSA-N
XLogP-0.22
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol 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

3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol
CID 66269646
2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol
CID 66269221
2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol
CID 66270359
2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol
CID 66270018
2-[4-[(2-methylsulfanylethylamino)methyl]triazol-1-yl]ethanol
CID 66270211
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol
CID 114099502
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propanenitrile
CID 66270547
2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
CID 66268074
2-[4-[(prop-2-ynylamino)methyl]triazol-1-yl]ethanol
CID 66270343

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol (CID 104759404) is 2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol is CC(C)OCCNCc1cn(CCO)nn1.
What is the InChIKey of 2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol?
The InChIKey is AWTXJARFRAEJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-9(2)16-6-3-11-7-10-8-14(4-5-15)13-12-10/h8-9,11,15H,3-7H2,1-2H3.
What are the key properties of 2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol?
2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol has a molecular weight of 228.30 g/mol, XLogP of -0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 104759404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).