2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol

C12H25N5O — CID 66268074

IUPAC2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
SMILESCCN(CC)CCCNCc1cn(CCO)nn1
InChIInChI=1S/C12H25N5O/c1-3-16(4-2)7-5-6-13-10-12-11-17(8-9-18)15-14-12/h11,13,18H,3-10H2,1-2H3
InChIKeyALGXJAVKUGXJGF-UHFFFAOYSA-N
MW255.37 g/mol
LogP0.09
Rot. Bonds10

About 2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol

2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol (PubChem CID 66268074) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
PubChem CID66268074
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC Name2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
SMILESCCN(CC)CCCNCc1cn(CCO)nn1
InChIInChI=1S/C12H25N5O/c1-3-16(4-2)7-5-6-13-10-12-11-17(8-9-18)15-14-12/h11,13,18H,3-10H2,1-2H3
InChIKeyALGXJAVKUGXJGF-UHFFFAOYSA-N
XLogP0.09
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[[3-(diethylamino)propylamino]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

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-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol
CID 66270359
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66269075
2-[4-[(2-methylsulfanylethylamino)methyl]triazol-1-yl]ethanol
CID 66270211
N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62458984
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
tert-butyl N-ethyl-N-[2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]ethyl]carbamate
CID 107245523
2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
CID 104759404
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]propanenitrile
CID 66270547

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol (CID 66268074) is 2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol is CCN(CC)CCCNCc1cn(CCO)nn1.
What is the InChIKey of 2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol?
The InChIKey is ALGXJAVKUGXJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O/c1-3-16(4-2)7-5-6-13-10-12-11-17(8-9-18)15-14-12/h11,13,18H,3-10H2,1-2H3.
What are the key properties of 2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol?
2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol has a molecular weight of 255.37 g/mol, XLogP of 0.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66268074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).