[1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol

C10H16N6O3 — CID 12722581

IUPAC[1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol
SMILESOCc1cn(CCOCCn2cc(CO)nn2)nn1
InChIInChI=1S/C10H16N6O3/c17-7-9-5-15(13-11-9)1-3-19-4-2-16-6-10(8-18)12-14-16/h5-6,17-18H,1-4,7-8H2
InChIKeyKWTRNGYLUYODPA-UHFFFAOYSA-N
MW268.28 g/mol
LogP-1.43
Rot. Bonds8

About [1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol

[1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol (PubChem CID 12722581) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is [1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol
PubChem CID12722581
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name[1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol
SMILESOCc1cn(CCOCCn2cc(CO)nn2)nn1
InChIInChI=1S/C10H16N6O3/c17-7-9-5-15(13-11-9)1-3-19-4-2-16-6-10(8-18)12-14-16/h5-6,17-18H,1-4,7-8H2
InChIKeyKWTRNGYLUYODPA-UHFFFAOYSA-N
XLogP-1.43
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 [1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol (CID 12722581) is [1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol is OCc1cn(CCOCCn2cc(CO)nn2)nn1.
What is the InChIKey of [1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol?
The InChIKey is KWTRNGYLUYODPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c17-7-9-5-15(13-11-9)1-3-19-4-2-16-6-10(8-18)12-14-16/h5-6,17-18H,1-4,7-8H2.
What are the key properties of [1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol?
[1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol has a molecular weight of 268.28 g/mol, XLogP of -1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-[4-(hydroxymethyl)triazol-1-yl]ethoxy]ethyl]triazol-4-yl]methanol is sourced from PubChem (CID 12722581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).