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

C12H24N4O2 — CID 66269221

IUPAC2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol
SMILESCC(C)COCCCNCc1cn(CCO)nn1
InChIInChI=1S/C12H24N4O2/c1-11(2)10-18-7-3-4-13-8-12-9-16(5-6-17)15-14-12/h9,11,13,17H,3-8,10H2,1-2H3
InChIKeyBXQFJQUOTWNINI-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.42
Rot. Bonds10

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

2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol (PubChem CID 66269221) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol
PubChem CID66269221
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol
SMILESCC(C)COCCCNCc1cn(CCO)nn1
InChIInChI=1S/C12H24N4O2/c1-11(2)10-18-7-3-4-13-8-12-9-16(5-6-17)15-14-12/h9,11,13,17H,3-8,10H2,1-2H3
InChIKeyBXQFJQUOTWNINI-UHFFFAOYSA-N
XLogP0.42
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol
CID 66270359
2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
CID 104759404
N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449883
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol
CID 66269646
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
2-methyl-N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449803
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
CID 66268074
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
2-[4-[(1-ethoxypropan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66268687

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol (CID 66269221) is 2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol is CC(C)COCCCNCc1cn(CCO)nn1.
What is the InChIKey of 2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol?
The InChIKey is BXQFJQUOTWNINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-11(2)10-18-7-3-4-13-8-12-9-16(5-6-17)15-14-12/h9,11,13,17H,3-8,10H2,1-2H3.
What are the key properties of 2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol?
2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol has a molecular weight of 256.35 g/mol, XLogP of 0.42, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66269221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).