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

C8H11N3O2S — CID 62785345

IUPACN-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine
SMILESCNc1cc2c(nn1)CCS(=O)(=O)C2
InChIInChI=1S/C8H11N3O2S/c1-9-8-4-6-5-14(12,13)3-2-7(6)10-11-8/h4H,2-3,5H2,1H3,(H,9,11)
InChIKeyTWXSUSJLLMPPLQ-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.01
Rot. Bonds1

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

N-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine (PubChem CID 62785345) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine
PubChem CID62785345
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine
SMILESCNc1cc2c(nn1)CCS(=O)(=O)C2
InChIInChI=1S/C8H11N3O2S/c1-9-8-4-6-5-14(12,13)3-2-7(6)10-11-8/h4H,2-3,5H2,1H3,(H,9,11)
InChIKeyTWXSUSJLLMPPLQ-UHFFFAOYSA-N
XLogP-0.01
TPSA71.95 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 ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine?
The IUPAC name of N-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine (CID 62785345) is N-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine.
What is the SMILES notation for N-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine?
The canonical SMILES for N-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine is CNc1cc2c(nn1)CCS(=O)(=O)C2.
What is the InChIKey of N-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine?
The InChIKey is TWXSUSJLLMPPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-9-8-4-6-5-14(12,13)3-2-7(6)10-11-8/h4H,2-3,5H2,1H3,(H,9,11).
What are the key properties of N-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine?
N-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine has a molecular weight of 213.26 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine is sourced from PubChem (CID 62785345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).