5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine

C12H12N4S — CID 14837196

IUPAC5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine
SMILESNNc1cc2c(nn1)-c1ccccc1SCC2
InChIInChI=1S/C12H12N4S/c13-14-11-7-8-5-6-17-10-4-2-1-3-9(10)12(8)16-15-11/h1-4,7H,5-6,13H2,(H,14,15)
InChIKeyBRGMZLNFRYKOEH-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.08
Rot. Bonds1

About 5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine

5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine (PubChem CID 14837196) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine.

Molecular Properties

Compound Name5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine
PubChem CID14837196
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine
SMILESNNc1cc2c(nn1)-c1ccccc1SCC2
InChIInChI=1S/C12H12N4S/c13-14-11-7-8-5-6-17-10-4-2-1-3-9(10)12(8)16-15-11/h1-4,7H,5-6,13H2,(H,14,15)
InChIKeyBRGMZLNFRYKOEH-UHFFFAOYSA-N
XLogP2.08
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-5,6-dihydro-[1]benzothiepino[5,4-d]pyrimidine
CID 139763459
N-methyl-5H-indeno[1,2-c]pyridazin-3-amine
CID 62785721
2-propyl-4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazole
CID 139763464
1-(5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-yl)-3-N-[3-fluoro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1,2,4-triazole-3,5-diamine
CID 25126111
(2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide
CID 67689586
(2Z)-2-(2,3-dihydrothiochromen-4-ylidene)ethanamine
CID 63969242
4-ethenylidene-2,3-dihydrothiochromene
CID 143818370
8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine
CID 139688202
8-thiatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13,15,17-heptaen-12-one
CID 154103054
(2Z)-2-(5-imino-2,3-dihydro-1-benzothiepin-4-ylidene)-N'-methylethanimidamide
CID 143719451
(5Z)-5-(2,3-dihydrothiochromen-4-ylidene)-1,3-thiazolidine-2,4-dione
CID 88657751
N-methyl-8-thia-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaen-15-amine
CID 139688216

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine?
The IUPAC name of 5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine (CID 14837196) is 5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine.
What is the SMILES notation for 5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine?
The canonical SMILES for 5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine is NNc1cc2c(nn1)-c1ccccc1SCC2.
What is the InChIKey of 5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine?
The InChIKey is BRGMZLNFRYKOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c13-14-11-7-8-5-6-17-10-4-2-1-3-9(10)12(8)16-15-11/h1-4,7H,5-6,13H2,(H,14,15).
What are the key properties of 5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine?
5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine has a molecular weight of 244.32 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-[1]benzothiepino[5,4-c]pyridazin-3-ylhydrazine is sourced from PubChem (CID 14837196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).