(4R,5R)-diazinane-4,5-diol

C4H10N2O2 — CID 101159676

IUPAC(4R,5R)-diazinane-4,5-diol
SMILESO[C@@H]1CNNC[C@H]1O
InChIInChI=1S/C4H10N2O2/c7-3-1-5-6-2-4(3)8/h3-8H,1-2H2/t3-,4-/m1/s1
InChIKeyHARAOQHEHPISJO-QWWZWVQMSA-N
MW118.14 g/mol
LogP-2.18
Rot. Bonds

About (4R,5R)-diazinane-4,5-diol

(4R,5R)-diazinane-4,5-diol (PubChem CID 101159676) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is (4R,5R)-diazinane-4,5-diol.

Molecular Properties

Compound Name(4R,5R)-diazinane-4,5-diol
PubChem CID101159676
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name(4R,5R)-diazinane-4,5-diol
SMILESO[C@@H]1CNNC[C@H]1O
InChIInChI=1S/C4H10N2O2/c7-3-1-5-6-2-4(3)8/h3-8H,1-2H2/t3-,4-/m1/s1
InChIKeyHARAOQHEHPISJO-QWWZWVQMSA-N
XLogP-2.18
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-2.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-diazinane-4,5-diol?
The IUPAC name of (4R,5R)-diazinane-4,5-diol (CID 101159676) is (4R,5R)-diazinane-4,5-diol.
What is the SMILES notation for (4R,5R)-diazinane-4,5-diol?
The canonical SMILES for (4R,5R)-diazinane-4,5-diol is O[C@@H]1CNNC[C@H]1O.
What is the InChIKey of (4R,5R)-diazinane-4,5-diol?
The InChIKey is HARAOQHEHPISJO-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H10N2O2/c7-3-1-5-6-2-4(3)8/h3-8H,1-2H2/t3-,4-/m1/s1.
What are the key properties of (4R,5R)-diazinane-4,5-diol?
(4R,5R)-diazinane-4,5-diol has a molecular weight of 118.14 g/mol, XLogP of -2.18, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-diazinane-4,5-diol is sourced from PubChem (CID 101159676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).