(3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol

C8H10ClN3O2 — CID 130729685

IUPAC(3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1Nc1ccc(Cl)nn1
InChIInChI=1S/C8H10ClN3O2/c9-7-1-2-8(12-11-7)10-5-3-14-4-6(5)13/h1-2,5-6,13H,3-4H2,(H,10,12)/t5-,6-/m1/s1
InChIKeyKDODXIPGVCHIKX-PHDIDXHHSA-N
MW215.64 g/mol
LogP0.30
Rot. Bonds2

About (3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol

(3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol (PubChem CID 130729685) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is (3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol
PubChem CID130729685
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name(3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1Nc1ccc(Cl)nn1
InChIInChI=1S/C8H10ClN3O2/c9-7-1-2-8(12-11-7)10-5-3-14-4-6(5)13/h1-2,5-6,13H,3-4H2,(H,10,12)/t5-,6-/m1/s1
InChIKeyKDODXIPGVCHIKX-PHDIDXHHSA-N
XLogP0.30
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol (CID 130729685) is (3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol is O[C@@H]1COC[C@H]1Nc1ccc(Cl)nn1.
What is the InChIKey of (3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol?
The InChIKey is KDODXIPGVCHIKX-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-7-1-2-8(12-11-7)10-5-3-14-4-6(5)13/h1-2,5-6,13H,3-4H2,(H,10,12)/t5-,6-/m1/s1.
What are the key properties of (3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol?
(3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol has a molecular weight of 215.64 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol is sourced from PubChem (CID 130729685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).