(1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol

C6H8N6O2 — CID 11769412

IUPAC(1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol
SMILES[N-]=[N+]=N[C@H]1C=C[C@H](N=[N+]=[N-])[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H8N6O2/c7-11-9-3-1-2-4(10-12-8)6(14)5(3)13/h1-6,13-14H/t3-,4-,5+,6+/m0/s1
InChIKeyVYVHFQKYMBMIKC-UNTFVMJOSA-N
MW196.17 g/mol
LogP0.64
Rot. Bonds2

About (1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol

(1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol (PubChem CID 11769412) has the molecular formula C6H8N6O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is (1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol.

Molecular Properties

Compound Name(1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol
PubChem CID11769412
Molecular FormulaC6H8N6O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name(1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol
SMILES[N-]=[N+]=N[C@H]1C=C[C@H](N=[N+]=[N-])[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H8N6O2/c7-11-9-3-1-2-4(10-12-8)6(14)5(3)13/h1-6,13-14H/t3-,4-,5+,6+/m0/s1
InChIKeyVYVHFQKYMBMIKC-UNTFVMJOSA-N
XLogP0.64
TPSA137.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze (1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol?
The IUPAC name of (1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol (CID 11769412) is (1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol.
What is the SMILES notation for (1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol?
The canonical SMILES for (1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol is [N-]=[N+]=N[C@H]1C=C[C@H](N=[N+]=[N-])[C@@H](O)[C@@H]1O.
What is the InChIKey of (1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol?
The InChIKey is VYVHFQKYMBMIKC-UNTFVMJOSA-N. The full InChI is InChI=1S/C6H8N6O2/c7-11-9-3-1-2-4(10-12-8)6(14)5(3)13/h1-6,13-14H/t3-,4-,5+,6+/m0/s1.
What are the key properties of (1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol?
(1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol has a molecular weight of 196.17 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,6S)-3,6-diazidocyclohex-4-ene-1,2-diol is sourced from PubChem (CID 11769412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).