3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol

C10H20N4O2 — CID 165456647

IUPAC3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol
SMILESCN(C)CCn1cc(COCCCO)nn1
InChIInChI=1S/C10H20N4O2/c1-13(2)4-5-14-8-10(11-12-14)9-16-7-3-6-15/h8,15H,3-7,9H2,1-2H3
InChIKeyCPJOQEFTBWYVPQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.26
Rot. Bonds8

About 3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol

3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol (PubChem CID 165456647) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol.

Molecular Properties

Compound Name3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol
PubChem CID165456647
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol
SMILESCN(C)CCn1cc(COCCCO)nn1
InChIInChI=1S/C10H20N4O2/c1-13(2)4-5-14-8-10(11-12-14)9-16-7-3-6-15/h8,15H,3-7,9H2,1-2H3
InChIKeyCPJOQEFTBWYVPQ-UHFFFAOYSA-N
XLogP-0.26
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol?
The IUPAC name of 3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol (CID 165456647) is 3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol.
What is the SMILES notation for 3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol?
The canonical SMILES for 3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol is CN(C)CCn1cc(COCCCO)nn1.
What is the InChIKey of 3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol?
The InChIKey is CPJOQEFTBWYVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-13(2)4-5-14-8-10(11-12-14)9-16-7-3-6-15/h8,15H,3-7,9H2,1-2H3.
What are the key properties of 3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol?
3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol has a molecular weight of 228.30 g/mol, XLogP of -0.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol is sourced from PubChem (CID 165456647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).