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

C7H10ClN3O2 — CID 68526419

IUPAC[(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine;hydrochloride
SMILESCl.NC[C@H]1COc2ccnnc2O1
InChIInChI=1S/C7H9N3O2.ClH/c8-3-5-4-11-6-1-2-9-10-7(6)12-5;/h1-2,5H,3-4,8H2;1H/t5-;/m0./s1
InChIKeyJNGKMYKVVFAFOO-JEDNCBNOSA-N
MW203.63 g/mol
LogP-0.00
Rot. Bonds1

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

[(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine;hydrochloride (PubChem CID 68526419) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine;hydrochloride
PubChem CID68526419
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name[(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine;hydrochloride
SMILESCl.NC[C@H]1COc2ccnnc2O1
InChIInChI=1S/C7H9N3O2.ClH/c8-3-5-4-11-6-1-2-9-10-7(6)12-5;/h1-2,5H,3-4,8H2;1H/t5-;/m0./s1
InChIKeyJNGKMYKVVFAFOO-JEDNCBNOSA-N
XLogP-0.00
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-0.00
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;hydrochloride?
The IUPAC name of [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine;hydrochloride (CID 68526419) is [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine;hydrochloride.
What is the SMILES notation for [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine;hydrochloride?
The canonical SMILES for [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine;hydrochloride is Cl.NC[C@H]1COc2ccnnc2O1.
What is the InChIKey of [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine;hydrochloride?
The InChIKey is JNGKMYKVVFAFOO-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H9N3O2.ClH/c8-3-5-4-11-6-1-2-9-10-7(6)12-5;/h1-2,5H,3-4,8H2;1H/t5-;/m0./s1.
What are the key properties of [(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine;hydrochloride?
[(7S)-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-yl]methanamine;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of -0.00, 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;hydrochloride is sourced from PubChem (CID 68526419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).