[(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine

C7H9N3O2 — CID 68526420

IUPAC[(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine
SMILESNC[C@H]1COc2ccnnc2O1
InChIInChI=1S/C7H9N3O2/c8-3-5-4-11-6-1-2-9-10-7(6)12-5/h1-2,5H,3-4,8H2/t5-/m0/s1
InChIKeyLCWDHLLXHHDESH-YFKPBYRVSA-N
MW167.17 g/mol
LogP-0.42
Rot. Bonds1

About [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine

[(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine (PubChem CID 68526420) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine.

Molecular Properties

Compound Name[(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine
PubChem CID68526420
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name[(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine
SMILESNC[C@H]1COc2ccnnc2O1
InChIInChI=1S/C7H9N3O2/c8-3-5-4-11-6-1-2-9-10-7(6)12-5/h1-2,5H,3-4,8H2/t5-/m0/s1
InChIKeyLCWDHLLXHHDESH-YFKPBYRVSA-N
XLogP-0.42
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine?
The IUPAC name of [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine (CID 68526420) is [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine.
What is the SMILES notation for [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine?
The canonical SMILES for [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine is NC[C@H]1COc2ccnnc2O1.
What is the InChIKey of [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine?
The InChIKey is LCWDHLLXHHDESH-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-3-5-4-11-6-1-2-9-10-7(6)12-5/h1-2,5H,3-4,8H2/t5-/m0/s1.
What are the key properties of [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine?
[(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine has a molecular weight of 167.17 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine is sourced from PubChem (CID 68526420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).