[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol

C8H14N4O — CID 165444649

IUPAC[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol
SMILESN[C@@H]1CC[C@H](n2cc(CO)nn2)C1
InChIInChI=1S/C8H14N4O/c9-6-1-2-8(3-6)12-4-7(5-13)10-11-12/h4,6,8,13H,1-3,5,9H2/t6-,8+/m1/s1
InChIKeyAOSSGFSWYMGZHP-SVRRBLITSA-N
MW182.23 g/mol
LogP-0.18
Rot. Bonds2

About [1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol

[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol (PubChem CID 165444649) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is [1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol
PubChem CID165444649
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol
SMILESN[C@@H]1CC[C@H](n2cc(CO)nn2)C1
InChIInChI=1S/C8H14N4O/c9-6-1-2-8(3-6)12-4-7(5-13)10-11-12/h4,6,8,13H,1-3,5,9H2/t6-,8+/m1/s1
InChIKeyAOSSGFSWYMGZHP-SVRRBLITSA-N
XLogP-0.18
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol (CID 165444649) is [1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol is N[C@@H]1CC[C@H](n2cc(CO)nn2)C1.
What is the InChIKey of [1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol?
The InChIKey is AOSSGFSWYMGZHP-SVRRBLITSA-N. The full InChI is InChI=1S/C8H14N4O/c9-6-1-2-8(3-6)12-4-7(5-13)10-11-12/h4,6,8,13H,1-3,5,9H2/t6-,8+/m1/s1.
What are the key properties of [1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol?
[1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol has a molecular weight of 182.23 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1S,3R)-3-aminocyclopentyl]triazol-4-yl]methanol is sourced from PubChem (CID 165444649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).