(6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

C10H15N5O3S — CID 102886401

IUPAC(6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)c1ccc(NN)nn1
InChIInChI=1S/C10H15N5O3S/c1-7-6-19(17,18)5-4-15(7)10(16)8-2-3-9(12-11)14-13-8/h2-3,7H,4-6,11H2,1H3,(H,12,14)
InChIKeyDIMLFTIIABAWIM-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.98
Rot. Bonds2

About (6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

(6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 102886401) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is (6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID102886401
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name(6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)c1ccc(NN)nn1
InChIInChI=1S/C10H15N5O3S/c1-7-6-19(17,18)5-4-15(7)10(16)8-2-3-9(12-11)14-13-8/h2-3,7H,4-6,11H2,1H3,(H,12,14)
InChIKeyDIMLFTIIABAWIM-UHFFFAOYSA-N
XLogP-0.98
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

[6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886319
(2-hydrazinyl-4-pyridinyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886398
(2-hydrazinyl-5-methylphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886399
(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103811859
(3-amino-2-chlorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882287
(3,5-difluoro-4-hydrazinylphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886410
(4-chloro-2-pyridinyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 113239864
[4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886333
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-hydrazinylpyridazin-3-yl)methanone
CID 104960538
(5-amino-1H-pyrazol-4-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102885522
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
(6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103502396

Frequently Asked Questions

What is the IUPAC name of (6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 102886401) is (6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is CC1CS(=O)(=O)CCN1C(=O)c1ccc(NN)nn1.
What is the InChIKey of (6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is DIMLFTIIABAWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-7-6-19(17,18)5-4-15(7)10(16)8-2-3-9(12-11)14-13-8/h2-3,7H,4-6,11H2,1H3,(H,12,14).
What are the key properties of (6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 285.33 g/mol, XLogP of -0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 102886401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).