3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol

C11H22N4O2 — CID 104759251

IUPAC3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCC(C)OCCNCc1cn(CCCO)nn1
InChIInChI=1S/C11H22N4O2/c1-10(2)17-7-4-12-8-11-9-15(14-13-11)5-3-6-16/h9-10,12,16H,3-8H2,1-2H3
InChIKeySZRZUVKZKGADNA-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.18
Rot. Bonds9

About 3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol

3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 104759251) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID104759251
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESCC(C)OCCNCc1cn(CCCO)nn1
InChIInChI=1S/C11H22N4O2/c1-10(2)17-7-4-12-8-11-9-15(14-13-11)5-3-6-16/h9-10,12,16H,3-8H2,1-2H3
InChIKeySZRZUVKZKGADNA-UHFFFAOYSA-N
XLogP0.18
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.18
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-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
CID 104759404
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
3-[4-[(2,3,3-trimethylbutylamino)methyl]triazol-1-yl]propan-1-ol
CID 83143100
2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol
CID 66269221
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
CID 66268145
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268914
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol
CID 66269646

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol (CID 104759251) is 3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol is CC(C)OCCNCc1cn(CCCO)nn1.
What is the InChIKey of 3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is SZRZUVKZKGADNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-10(2)17-7-4-12-8-11-9-15(14-13-11)5-3-6-16/h9-10,12,16H,3-8H2,1-2H3.
What are the key properties of 3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 0.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 104759251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).