2-pyridazin-3-yloxypropane-1,3-diol

C7H10N2O3 — CID 54522855

IUPAC2-pyridazin-3-yloxypropane-1,3-diol
SMILESOCC(CO)Oc1cccnn1
InChIInChI=1S/C7H10N2O3/c10-4-6(5-11)12-7-2-1-3-8-9-7/h1-3,6,10-11H,4-5H2
InChIKeyXSFGXUGZDVZODH-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.79
Rot. Bonds4

About 2-pyridazin-3-yloxypropane-1,3-diol

2-pyridazin-3-yloxypropane-1,3-diol (PubChem CID 54522855) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-pyridazin-3-yloxypropane-1,3-diol.

Molecular Properties

Compound Name2-pyridazin-3-yloxypropane-1,3-diol
PubChem CID54522855
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-pyridazin-3-yloxypropane-1,3-diol
SMILESOCC(CO)Oc1cccnn1
InChIInChI=1S/C7H10N2O3/c10-4-6(5-11)12-7-2-1-3-8-9-7/h1-3,6,10-11H,4-5H2
InChIKeyXSFGXUGZDVZODH-UHFFFAOYSA-N
XLogP-0.79
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yloxypropane-1,3-diol?
The IUPAC name of 2-pyridazin-3-yloxypropane-1,3-diol (CID 54522855) is 2-pyridazin-3-yloxypropane-1,3-diol.
What is the SMILES notation for 2-pyridazin-3-yloxypropane-1,3-diol?
The canonical SMILES for 2-pyridazin-3-yloxypropane-1,3-diol is OCC(CO)Oc1cccnn1.
What is the InChIKey of 2-pyridazin-3-yloxypropane-1,3-diol?
The InChIKey is XSFGXUGZDVZODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-4-6(5-11)12-7-2-1-3-8-9-7/h1-3,6,10-11H,4-5H2.
What are the key properties of 2-pyridazin-3-yloxypropane-1,3-diol?
2-pyridazin-3-yloxypropane-1,3-diol has a molecular weight of 170.17 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-yloxypropane-1,3-diol is sourced from PubChem (CID 54522855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).