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

C9H13N3O2S — CID 62786104

IUPACN-ethyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine
SMILESCCNc1cc2c(nn1)CCS(=O)(=O)C2
InChIInChI=1S/C9H13N3O2S/c1-2-10-9-5-7-6-15(13,14)4-3-8(7)11-12-9/h5H,2-4,6H2,1H3,(H,10,12)
InChIKeyLZPZHRLMPBFFBR-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.38
Rot. Bonds2

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

N-ethyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine (PubChem CID 62786104) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-ethyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine.

Molecular Properties

Compound NameN-ethyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine
PubChem CID62786104
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-ethyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine
SMILESCCNc1cc2c(nn1)CCS(=O)(=O)C2
InChIInChI=1S/C9H13N3O2S/c1-2-10-9-5-7-6-15(13,14)4-3-8(7)11-12-9/h5H,2-4,6H2,1H3,(H,10,12)
InChIKeyLZPZHRLMPBFFBR-UHFFFAOYSA-N
XLogP0.38
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine?
The IUPAC name of N-ethyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine (CID 62786104) is N-ethyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine.
What is the SMILES notation for N-ethyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine?
The canonical SMILES for N-ethyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine is CCNc1cc2c(nn1)CCS(=O)(=O)C2.
What is the InChIKey of N-ethyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine?
The InChIKey is LZPZHRLMPBFFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-2-10-9-5-7-6-15(13,14)4-3-8(7)11-12-9/h5H,2-4,6H2,1H3,(H,10,12).
What are the key properties of N-ethyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine?
N-ethyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine has a molecular weight of 227.29 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine is sourced from PubChem (CID 62786104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).