2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol

C10H18N4O2 — CID 165447973

IUPAC2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol
SMILESN[C@@H]1CC[C@H](n2cc(COCCO)nn2)C1
InChIInChI=1S/C10H18N4O2/c11-8-1-2-10(5-8)14-6-9(12-13-14)7-16-4-3-15/h6,8,10,15H,1-5,7,11H2/t8-,10+/m1/s1
InChIKeyAQEINFGFIYEJLO-SCZZXKLOSA-N
MW226.28 g/mol
LogP-0.16
Rot. Bonds5

About 2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol

2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol (PubChem CID 165447973) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol.

Molecular Properties

Compound Name2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol
PubChem CID165447973
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol
SMILESN[C@@H]1CC[C@H](n2cc(COCCO)nn2)C1
InChIInChI=1S/C10H18N4O2/c11-8-1-2-10(5-8)14-6-9(12-13-14)7-16-4-3-15/h6,8,10,15H,1-5,7,11H2/t8-,10+/m1/s1
InChIKeyAQEINFGFIYEJLO-SCZZXKLOSA-N
XLogP-0.16
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol?
The IUPAC name of 2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol (CID 165447973) is 2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol.
What is the SMILES notation for 2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol?
The canonical SMILES for 2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol is N[C@@H]1CC[C@H](n2cc(COCCO)nn2)C1.
What is the InChIKey of 2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol?
The InChIKey is AQEINFGFIYEJLO-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H18N4O2/c11-8-1-2-10(5-8)14-6-9(12-13-14)7-16-4-3-15/h6,8,10,15H,1-5,7,11H2/t8-,10+/m1/s1.
What are the key properties of 2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol?
2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol has a molecular weight of 226.28 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methoxy]ethanol is sourced from PubChem (CID 165447973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).