(3R,4S)-3,4-diazidocyclohexene

C6H8N6 — CID 101364025

IUPAC(3R,4S)-3,4-diazidocyclohexene
SMILES[N-]=[N+]=N[C@H]1CCC=C[C@H]1N=[N+]=[N-]
InChIInChI=1S/C6H8N6/c7-11-9-5-3-1-2-4-6(5)10-12-8/h1,3,5-6H,2,4H2/t5-,6+/m1/s1
InChIKeyOXTVQMCHYGDKKB-RITPCOANSA-N
MW164.17 g/mol
LogP2.69
Rot. Bonds2

About (3R,4S)-3,4-diazidocyclohexene

(3R,4S)-3,4-diazidocyclohexene (PubChem CID 101364025) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is (3R,4S)-3,4-diazidocyclohexene.

Molecular Properties

Compound Name(3R,4S)-3,4-diazidocyclohexene
PubChem CID101364025
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name(3R,4S)-3,4-diazidocyclohexene
SMILES[N-]=[N+]=N[C@H]1CCC=C[C@H]1N=[N+]=[N-]
InChIInChI=1S/C6H8N6/c7-11-9-5-3-1-2-4-6(5)10-12-8/h1,3,5-6H,2,4H2/t5-,6+/m1/s1
InChIKeyOXTVQMCHYGDKKB-RITPCOANSA-N
XLogP2.69
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

8-azidocyclooct-4-en-1-ol
CID 173485913
5-azidocyclooctene
CID 73165272
2,5-diazidocyclopentan-1-ol
CID 85255446
(1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol
CID 11769412
(1R,2S,3S)-3-azidocyclohexane-1,2-diol
CID 13427858
cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine
CID 167634886
(1R,2R,3S)-3-azidocyclohexane-1,2-diol
CID 13427857
(1S,2S,5S,6S)-1,2,5-triazido-6-iodocyclooctane
CID 102065572
(3R,4S)-3,4-diazidothiolane
CID 89359804
trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane
CID 10749143
trans-(3R,4R)-3,4-diazidocyclopentan-1-ol
CID 173485365
cis-(1R,3S)-2-azidocyclopentane-1,3-diol
CID 130822614

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-diazidocyclohexene?
The IUPAC name of (3R,4S)-3,4-diazidocyclohexene (CID 101364025) is (3R,4S)-3,4-diazidocyclohexene.
What is the SMILES notation for (3R,4S)-3,4-diazidocyclohexene?
The canonical SMILES for (3R,4S)-3,4-diazidocyclohexene is [N-]=[N+]=N[C@H]1CCC=C[C@H]1N=[N+]=[N-].
What is the InChIKey of (3R,4S)-3,4-diazidocyclohexene?
The InChIKey is OXTVQMCHYGDKKB-RITPCOANSA-N. The full InChI is InChI=1S/C6H8N6/c7-11-9-5-3-1-2-4-6(5)10-12-8/h1,3,5-6H,2,4H2/t5-,6+/m1/s1.
What are the key properties of (3R,4S)-3,4-diazidocyclohexene?
(3R,4S)-3,4-diazidocyclohexene has a molecular weight of 164.17 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-diazidocyclohexene is sourced from PubChem (CID 101364025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).