N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine

C8H10N6O2S — CID 47136339

IUPACN-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESO=S1(=O)CCC(Nc2ccc3nnnn3n2)C1
InChIInChI=1S/C8H10N6O2S/c15-17(16)4-3-6(5-17)9-7-1-2-8-10-12-13-14(8)11-7/h1-2,6H,3-5H2,(H,9,11)
InChIKeyRIEAFNHDPQMRGT-UHFFFAOYSA-N
MW254.27 g/mol
LogP-0.88
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine

N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 47136339) has the molecular formula C8H10N6O2S and a molecular weight of 254.27 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID47136339
Molecular FormulaC8H10N6O2S
Molecular Weight254.27 g/mol
Exact Mass254.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESO=S1(=O)CCC(Nc2ccc3nnnn3n2)C1
InChIInChI=1S/C8H10N6O2S/c15-17(16)4-3-6(5-17)9-7-1-2-8-10-12-13-14(8)11-7/h1-2,6H,3-5H2,(H,9,11)
InChIKeyRIEAFNHDPQMRGT-UHFFFAOYSA-N
XLogP-0.88
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(cyclopentylmethyl)piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 56821952
N-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 113237754
N-(2,2-dimethylcyclopropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 78968755
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042905
N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine
CID 43078771
N-(2,2,3,3-tetramethylcyclopropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 79566525
1,1-dioxo-N-[2-(tetrazol-1-yl)phenyl]thiolan-3-amine
CID 63162681
1-phenyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyrrolidin-2-one
CID 133296489
N-(1,1-dioxothiolan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884026
N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
CID 106503952
N-(1-cyclopropylethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47136349
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113042952

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine (CID 47136339) is N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine is O=S1(=O)CCC(Nc2ccc3nnnn3n2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is RIEAFNHDPQMRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2S/c15-17(16)4-3-6(5-17)9-7-1-2-8-10-12-13-14(8)11-7/h1-2,6H,3-5H2,(H,9,11).
What are the key properties of N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine?
N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 254.27 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 47136339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).