[3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol

C8H15N3O3 — CID 102929347

IUPAC[3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol
SMILESCOCCOCCc1n[nH]c(CO)n1
InChIInChI=1S/C8H15N3O3/c1-13-4-5-14-3-2-7-9-8(6-12)11-10-7/h12H,2-6H2,1H3,(H,9,10,11)
InChIKeyLHTVOJYDXMHCPF-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.50
Rot. Bonds7

About [3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol

[3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 102929347) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is [3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol
PubChem CID102929347
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name[3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol
SMILESCOCCOCCc1n[nH]c(CO)n1
InChIInChI=1S/C8H15N3O3/c1-13-4-5-14-3-2-7-9-8(6-12)11-10-7/h12H,2-6H2,1H3,(H,9,10,11)
InChIKeyLHTVOJYDXMHCPF-UHFFFAOYSA-N
XLogP-0.50
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol (CID 102929347) is [3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol is COCCOCCc1n[nH]c(CO)n1.
What is the InChIKey of [3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is LHTVOJYDXMHCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-13-4-5-14-3-2-7-9-8(6-12)11-10-7/h12H,2-6H2,1H3,(H,9,10,11).
What are the key properties of [3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol?
[3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 201.23 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 102929347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).