6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine

C10H15N3O2S — CID 62783872

IUPAC6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine
SMILESCCCNc1cc2c(nn1)CCS(=O)(=O)C2
InChIInChI=1S/C10H15N3O2S/c1-2-4-11-10-6-8-7-16(14,15)5-3-9(8)12-13-10/h6H,2-5,7H2,1H3,(H,11,13)
InChIKeyXIAPLKUTCRCVSI-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.77
Rot. Bonds3

About 6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine

6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine (PubChem CID 62783872) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine.

Molecular Properties

Compound Name6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine
PubChem CID62783872
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine
SMILESCCCNc1cc2c(nn1)CCS(=O)(=O)C2
InChIInChI=1S/C10H15N3O2S/c1-2-4-11-10-6-8-7-16(14,15)5-3-9(8)12-13-10/h6H,2-5,7H2,1H3,(H,11,13)
InChIKeyXIAPLKUTCRCVSI-UHFFFAOYSA-N
XLogP0.77
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine?
The IUPAC name of 6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine (CID 62783872) is 6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine.
What is the SMILES notation for 6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine?
The canonical SMILES for 6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine is CCCNc1cc2c(nn1)CCS(=O)(=O)C2.
What is the InChIKey of 6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine?
The InChIKey is XIAPLKUTCRCVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-4-11-10-6-8-7-16(14,15)5-3-9(8)12-13-10/h6H,2-5,7H2,1H3,(H,11,13).
What are the key properties of 6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine?
6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine has a molecular weight of 241.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine is sourced from PubChem (CID 62783872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).