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

C7H8N2O2 — CID 147619110

IUPAC(7S)-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine
SMILESC[C@H]1COc2ccnnc2O1
InChIInChI=1S/C7H8N2O2/c1-5-4-10-6-2-3-8-9-7(6)11-5/h2-3,5H,4H2,1H3/t5-/m0/s1
InChIKeyGDMYPSIJCFSNHT-YFKPBYRVSA-N
MW152.15 g/mol
LogP0.64
Rot. Bonds

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

(7S)-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine (PubChem CID 147619110) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is (7S)-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine.

Molecular Properties

Compound Name(7S)-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine
PubChem CID147619110
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name(7S)-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine
SMILESC[C@H]1COc2ccnnc2O1
InChIInChI=1S/C7H8N2O2/c1-5-4-10-6-2-3-8-9-7(6)11-5/h2-3,5H,4H2,1H3/t5-/m0/s1
InChIKeyGDMYPSIJCFSNHT-YFKPBYRVSA-N
XLogP0.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine?
The IUPAC name of (7S)-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine (CID 147619110) is (7S)-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine.
What is the SMILES notation for (7S)-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine?
The canonical SMILES for (7S)-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine is C[C@H]1COc2ccnnc2O1.
What is the InChIKey of (7S)-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine?
The InChIKey is GDMYPSIJCFSNHT-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-5-4-10-6-2-3-8-9-7(6)11-5/h2-3,5H,4H2,1H3/t5-/m0/s1.
What are the key properties of (7S)-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine?
(7S)-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine has a molecular weight of 152.15 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine is sourced from PubChem (CID 147619110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).