(7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine

C8H10N2O2 — CID 143831776

IUPAC(7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine
SMILESCC[C@H]1COc2ccnnc2O1
InChIInChI=1S/C8H10N2O2/c1-2-6-5-11-7-3-4-9-10-8(7)12-6/h3-4,6H,2,5H2,1H3/t6-/m0/s1
InChIKeyJOGNMSHVEJEWIE-LURJTMIESA-N
MW166.18 g/mol
LogP1.03
Rot. Bonds1

About (7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine

(7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine (PubChem CID 143831776) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine.

Molecular Properties

Compound Name(7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine
PubChem CID143831776
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine
SMILESCC[C@H]1COc2ccnnc2O1
InChIInChI=1S/C8H10N2O2/c1-2-6-5-11-7-3-4-9-10-8(7)12-6/h3-4,6H,2,5H2,1H3/t6-/m0/s1
InChIKeyJOGNMSHVEJEWIE-LURJTMIESA-N
XLogP1.03
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine?
The IUPAC name of (7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine (CID 143831776) is (7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine.
What is the SMILES notation for (7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine?
The canonical SMILES for (7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine is CC[C@H]1COc2ccnnc2O1.
What is the InChIKey of (7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine?
The InChIKey is JOGNMSHVEJEWIE-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-6-5-11-7-3-4-9-10-8(7)12-6/h3-4,6H,2,5H2,1H3/t6-/m0/s1.
What are the key properties of (7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine?
(7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine has a molecular weight of 166.18 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-ethyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine is sourced from PubChem (CID 143831776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).