6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol

C7H8N2O3 — CID 90994212

IUPAC6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol
SMILESOCC1COc2ccnnc2O1
InChIInChI=1S/C7H8N2O3/c10-3-5-4-11-6-1-2-8-9-7(6)12-5/h1-2,5,10H,3-4H2
InChIKeyZHAXYSOOYIRQQL-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.39
Rot. Bonds1

About 6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol

6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol (PubChem CID 90994212) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol.

Molecular Properties

Compound Name6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol
PubChem CID90994212
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol
SMILESOCC1COc2ccnnc2O1
InChIInChI=1S/C7H8N2O3/c10-3-5-4-11-6-1-2-8-9-7(6)12-5/h1-2,5,10H,3-4H2
InChIKeyZHAXYSOOYIRQQL-UHFFFAOYSA-N
XLogP-0.39
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol?
The IUPAC name of 6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol (CID 90994212) is 6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol.
What is the SMILES notation for 6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol?
The canonical SMILES for 6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol is OCC1COc2ccnnc2O1.
What is the InChIKey of 6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol?
The InChIKey is ZHAXYSOOYIRQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-3-5-4-11-6-1-2-8-9-7(6)12-5/h1-2,5,10H,3-4H2.
What are the key properties of 6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol?
6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol has a molecular weight of 168.15 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol is sourced from PubChem (CID 90994212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).