3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol

C10H17N3O3 — CID 145030763

IUPAC3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol
SMILESCC(C)(O)OC1CC(O)CC1n1ccnn1
InChIInChI=1S/C10H17N3O3/c1-10(2,15)16-9-6-7(14)5-8(9)13-4-3-11-12-13/h3-4,7-9,14-15H,5-6H2,1-2H3
InChIKeyHDSKUAHIDMTUAM-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.09
Rot. Bonds3

About 3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol

3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol (PubChem CID 145030763) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol
PubChem CID145030763
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol
SMILESCC(C)(O)OC1CC(O)CC1n1ccnn1
InChIInChI=1S/C10H17N3O3/c1-10(2,15)16-9-6-7(14)5-8(9)13-4-3-11-12-13/h3-4,7-9,14-15H,5-6H2,1-2H3
InChIKeyHDSKUAHIDMTUAM-UHFFFAOYSA-N
XLogP0.09
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol?
The IUPAC name of 3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol (CID 145030763) is 3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for 3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol is CC(C)(O)OC1CC(O)CC1n1ccnn1.
What is the InChIKey of 3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol?
The InChIKey is HDSKUAHIDMTUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(2,15)16-9-6-7(14)5-8(9)13-4-3-11-12-13/h3-4,7-9,14-15H,5-6H2,1-2H3.
What are the key properties of 3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol?
3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol has a molecular weight of 227.26 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yloxy)-4-(triazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 145030763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).