[3-(2-methoxyethyl)triazol-4-yl]methanol

C6H11N3O2 — CID 112757669

IUPAC[3-(2-methoxyethyl)triazol-4-yl]methanol
SMILESCOCCn1nncc1CO
InChIInChI=1S/C6H11N3O2/c1-11-3-2-9-6(5-10)4-7-8-9/h4,10H,2-3,5H2,1H3
InChIKeyHIQHNJXEKKTDHS-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.58
Rot. Bonds4

About [3-(2-methoxyethyl)triazol-4-yl]methanol

[3-(2-methoxyethyl)triazol-4-yl]methanol (PubChem CID 112757669) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is [3-(2-methoxyethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2-methoxyethyl)triazol-4-yl]methanol
PubChem CID112757669
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name[3-(2-methoxyethyl)triazol-4-yl]methanol
SMILESCOCCn1nncc1CO
InChIInChI=1S/C6H11N3O2/c1-11-3-2-9-6(5-10)4-7-8-9/h4,10H,2-3,5H2,1H3
InChIKeyHIQHNJXEKKTDHS-UHFFFAOYSA-N
XLogP-0.58
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethyl)triazol-4-yl]methanol?
The IUPAC name of [3-(2-methoxyethyl)triazol-4-yl]methanol (CID 112757669) is [3-(2-methoxyethyl)triazol-4-yl]methanol.
What is the SMILES notation for [3-(2-methoxyethyl)triazol-4-yl]methanol?
The canonical SMILES for [3-(2-methoxyethyl)triazol-4-yl]methanol is COCCn1nncc1CO.
What is the InChIKey of [3-(2-methoxyethyl)triazol-4-yl]methanol?
The InChIKey is HIQHNJXEKKTDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-11-3-2-9-6(5-10)4-7-8-9/h4,10H,2-3,5H2,1H3.
What are the key properties of [3-(2-methoxyethyl)triazol-4-yl]methanol?
[3-(2-methoxyethyl)triazol-4-yl]methanol has a molecular weight of 157.17 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethyl)triazol-4-yl]methanol is sourced from PubChem (CID 112757669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).