[2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol

C9H17N3O3 — CID 103183861

IUPAC[2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol
SMILESCOCCCOCCn1ncnc1CO
InChIInChI=1S/C9H17N3O3/c1-14-4-2-5-15-6-3-12-9(7-13)10-8-11-12/h8,13H,2-7H2,1H3
InChIKeyPDEILXWRDFLFNY-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.18
Rot. Bonds8

About [2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol

[2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 103183861) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is [2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol
PubChem CID103183861
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name[2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol
SMILESCOCCCOCCn1ncnc1CO
InChIInChI=1S/C9H17N3O3/c1-14-4-2-5-15-6-3-12-9(7-13)10-8-11-12/h8,13H,2-7H2,1H3
InChIKeyPDEILXWRDFLFNY-UHFFFAOYSA-N
XLogP-0.18
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol (CID 103183861) is [2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol is COCCCOCCn1ncnc1CO.
What is the InChIKey of [2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is PDEILXWRDFLFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-14-4-2-5-15-6-3-12-9(7-13)10-8-11-12/h8,13H,2-7H2,1H3.
What are the key properties of [2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol?
[2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 215.25 g/mol, XLogP of -0.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103183861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).