7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine

C8H11N3O2S — CID 65046927

IUPAC7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
SMILESCS(=O)(=O)C1CCc2cc(N)nnc21
InChIInChI=1S/C8H11N3O2S/c1-14(12,13)6-3-2-5-4-7(9)10-11-8(5)6/h4,6H,2-3H2,1H3,(H2,9,10)
InChIKeyLHQZWPDMEBPBSH-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.09
Rot. Bonds1

About 7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine

7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine (PubChem CID 65046927) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine.

Molecular Properties

Compound Name7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
PubChem CID65046927
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
SMILESCS(=O)(=O)C1CCc2cc(N)nnc21
InChIInChI=1S/C8H11N3O2S/c1-14(12,13)6-3-2-5-4-7(9)10-11-8(5)6/h4,6H,2-3H2,1H3,(H2,9,10)
InChIKeyLHQZWPDMEBPBSH-UHFFFAOYSA-N
XLogP0.09
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine?
The IUPAC name of 7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine (CID 65046927) is 7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine.
What is the SMILES notation for 7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine?
The canonical SMILES for 7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine is CS(=O)(=O)C1CCc2cc(N)nnc21.
What is the InChIKey of 7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine?
The InChIKey is LHQZWPDMEBPBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-14(12,13)6-3-2-5-4-7(9)10-11-8(5)6/h4,6H,2-3H2,1H3,(H2,9,10).
What are the key properties of 7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine?
7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine has a molecular weight of 213.26 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine is sourced from PubChem (CID 65046927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).