3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide

C7H11N5S — CID 83016391

IUPAC3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide
SMILESCN(C)Nc1nnccc1C(N)=S
InChIInChI=1S/C7H11N5S/c1-12(2)11-7-5(6(8)13)3-4-9-10-7/h3-4H,1-2H3,(H2,8,13)(H,10,11)
InChIKeyIIRPUTSOWBWFHP-UHFFFAOYSA-N
MW197.27 g/mol
LogP-0.00
Rot. Bonds3

About 3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide

3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide (PubChem CID 83016391) has the molecular formula C7H11N5S and a molecular weight of 197.27 g/mol. Its IUPAC name is 3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide
PubChem CID83016391
Molecular FormulaC7H11N5S
Molecular Weight197.27 g/mol
Exact Mass197.07
IUPAC Name3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide
SMILESCN(C)Nc1nnccc1C(N)=S
InChIInChI=1S/C7H11N5S/c1-12(2)11-7-5(6(8)13)3-4-9-10-7/h3-4H,1-2H3,(H2,8,13)(H,10,11)
InChIKeyIIRPUTSOWBWFHP-UHFFFAOYSA-N
XLogP-0.00
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide
CID 80512264
3-[(3,5-dimethylcyclohexyl)amino]pyridazine-4-carbothioamide
CID 80511571
2-[(4-carbamothioylpyridazin-3-yl)amino]-2-methylpropanamide
CID 80511155
3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbothioamide
CID 115377757
3-(2-fluoro-5-methoxyanilino)pyridazine-4-carbothioamide
CID 80511551
3-(pentylamino)pyridazine-4-carbothioamide
CID 80510880
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide
CID 104761839
3-(2-fluoroanilino)pyridazine-4-carbothioamide
CID 80510994
3-[(6-methoxy-3-pyridinyl)amino]pyridazine-4-carbothioamide
CID 80510972
3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide
CID 80511090
3-[(2-methoxyphenyl)methylamino]pyridazine-4-carbothioamide
CID 80510898
2-[(4-carbamothioylpyridazin-3-yl)amino]-N-methylpropanamide
CID 80512272

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide?
The IUPAC name of 3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide (CID 83016391) is 3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide.
What is the SMILES notation for 3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide?
The canonical SMILES for 3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide is CN(C)Nc1nnccc1C(N)=S.
What is the InChIKey of 3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide?
The InChIKey is IIRPUTSOWBWFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5S/c1-12(2)11-7-5(6(8)13)3-4-9-10-7/h3-4H,1-2H3,(H2,8,13)(H,10,11).
What are the key properties of 3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide?
3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide has a molecular weight of 197.27 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide is sourced from PubChem (CID 83016391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).