3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol

C8H15N3O3 — CID 165452402

IUPAC3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol
SMILESCOCC(O)c1cnnn1CCCO
InChIInChI=1S/C8H15N3O3/c1-14-6-8(13)7-5-9-10-11(7)3-2-4-12/h5,8,12-13H,2-4,6H2,1H3
InChIKeyPKQXFHKZAWQVFF-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.66
Rot. Bonds6

About 3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol

3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol (PubChem CID 165452402) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol
PubChem CID165452402
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol
SMILESCOCC(O)c1cnnn1CCCO
InChIInChI=1S/C8H15N3O3/c1-14-6-8(13)7-5-9-10-11(7)3-2-4-12/h5,8,12-13H,2-4,6H2,1H3
InChIKeyPKQXFHKZAWQVFF-UHFFFAOYSA-N
XLogP-0.66
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol (CID 165452402) is 3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol is COCC(O)c1cnnn1CCCO.
What is the InChIKey of 3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol?
The InChIKey is PKQXFHKZAWQVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-14-6-8(13)7-5-9-10-11(7)3-2-4-12/h5,8,12-13H,2-4,6H2,1H3.
What are the key properties of 3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol?
3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol has a molecular weight of 201.23 g/mol, XLogP of -0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol is sourced from PubChem (CID 165452402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).