trans-(3R,4R)-3,4-diazidocyclopentan-1-ol

C5H8N6O — CID 173485365

IUPACtrans-(3R,4R)-3,4-diazidocyclopentan-1-ol
SMILES[N-]=[N+]=N[C@@H]1CC(O)C[C@H]1N=[N+]=[N-]
InChIInChI=1S/C5H8N6O/c6-10-8-4-1-3(12)2-5(4)9-11-7/h3-5,12H,1-2H2/t4-,5-/m1/s1
InChIKeyJVIULFLLDILRFU-RFZPGFLSSA-N
MW168.16 g/mol
LogP1.50
Rot. Bonds2

About trans-(3R,4R)-3,4-diazidocyclopentan-1-ol

trans-(3R,4R)-3,4-diazidocyclopentan-1-ol (PubChem CID 173485365) has the molecular formula C5H8N6O and a molecular weight of 168.16 g/mol. Its IUPAC name is trans-(3R,4R)-3,4-diazidocyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(3R,4R)-3,4-diazidocyclopentan-1-ol
PubChem CID173485365
Molecular FormulaC5H8N6O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Nametrans-(3R,4R)-3,4-diazidocyclopentan-1-ol
SMILES[N-]=[N+]=N[C@@H]1CC(O)C[C@H]1N=[N+]=[N-]
InChIInChI=1S/C5H8N6O/c6-10-8-4-1-3(12)2-5(4)9-11-7/h3-5,12H,1-2H2/t4-,5-/m1/s1
InChIKeyJVIULFLLDILRFU-RFZPGFLSSA-N
XLogP1.50
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,4S,5S)-2,5-diazidocyclohexane-1,4-diol
CID 131137989
2,5-diazidocyclopentan-1-ol
CID 85255446
trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane
CID 10749143
(1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol
CID 71378179
8-azidocyclooct-4-en-1-ol
CID 173485913
(1R,2R,3S)-3-azidocyclohexane-1,2-diol
CID 13427857
cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine
CID 167634886
(1R,2S,3R)-3-azidocyclohexane-1,2-diol
CID 13427856
(1R,2S,3S)-3-azidocyclohexane-1,2-diol
CID 13427858
(4R,5R,6S)-4-azido-6-methyloxane-2,5-diol
CID 16679756
(3R,4S)-3,4-diazidothiolane
CID 89359804
(2R,4R,5S)-5-azidooxane-2,3,4-triol
CID 58572353

Frequently Asked Questions

What is the IUPAC name of trans-(3R,4R)-3,4-diazidocyclopentan-1-ol?
The IUPAC name of trans-(3R,4R)-3,4-diazidocyclopentan-1-ol (CID 173485365) is trans-(3R,4R)-3,4-diazidocyclopentan-1-ol.
What is the SMILES notation for trans-(3R,4R)-3,4-diazidocyclopentan-1-ol?
The canonical SMILES for trans-(3R,4R)-3,4-diazidocyclopentan-1-ol is [N-]=[N+]=N[C@@H]1CC(O)C[C@H]1N=[N+]=[N-].
What is the InChIKey of trans-(3R,4R)-3,4-diazidocyclopentan-1-ol?
The InChIKey is JVIULFLLDILRFU-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H8N6O/c6-10-8-4-1-3(12)2-5(4)9-11-7/h3-5,12H,1-2H2/t4-,5-/m1/s1.
What are the key properties of trans-(3R,4R)-3,4-diazidocyclopentan-1-ol?
trans-(3R,4R)-3,4-diazidocyclopentan-1-ol has a molecular weight of 168.16 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,4R)-3,4-diazidocyclopentan-1-ol is sourced from PubChem (CID 173485365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).