3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol

C11H21N3O3 — CID 103412240

IUPAC3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol
SMILESCOCCOCCCn1cc(CCCO)nn1
InChIInChI=1S/C11H21N3O3/c1-16-8-9-17-7-3-5-14-10-11(12-13-14)4-2-6-15/h10,15H,2-9H2,1H3
InChIKeyKJAVYPLQXQBRLJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.26
Rot. Bonds10

About 3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol

3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol (PubChem CID 103412240) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol
PubChem CID103412240
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol
SMILESCOCCOCCCn1cc(CCCO)nn1
InChIInChI=1S/C11H21N3O3/c1-16-8-9-17-7-3-5-14-10-11(12-13-14)4-2-6-15/h10,15H,2-9H2,1H3
InChIKeyKJAVYPLQXQBRLJ-UHFFFAOYSA-N
XLogP0.26
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.26
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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Related Compounds

4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole
CID 103412253
1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole
CID 146355749
3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol
CID 122187945
4-butyl-1-[4-(2-iodoethoxy)butyl]triazole
CID 177149820
6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol
CID 107706694
ethane;4-(4-methoxybutyl)-1-(4-methylpentyl)triazole
CID 155739820
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole
CID 167478835
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]propanoate
CID 58408691
4-(1-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]triazole
CID 103412254
2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol
CID 139212566
4-(2-chloroethyl)-1-(2-methoxyethyl)triazole
CID 62400473

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol (CID 103412240) is 3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol is COCCOCCCn1cc(CCCO)nn1.
What is the InChIKey of 3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol?
The InChIKey is KJAVYPLQXQBRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-16-8-9-17-7-3-5-14-10-11(12-13-14)4-2-6-15/h10,15H,2-9H2,1H3.
What are the key properties of 3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol?
3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol has a molecular weight of 243.31 g/mol, XLogP of 0.26, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol is sourced from PubChem (CID 103412240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).