3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide

C10H16N4OS — CID 104761839

IUPAC3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide
SMILESCOC(C)(C)CNc1nnccc1C(N)=S
InChIInChI=1S/C10H16N4OS/c1-10(2,15-3)6-12-9-7(8(11)16)4-5-13-14-9/h4-5H,6H2,1-3H3,(H2,11,16)(H,12,14)
InChIKeyYVPLXXKCXRINIO-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.95
Rot. Bonds5

About 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide

3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide (PubChem CID 104761839) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide
PubChem CID104761839
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide
SMILESCOC(C)(C)CNc1nnccc1C(N)=S
InChIInChI=1S/C10H16N4OS/c1-10(2,15-3)6-12-9-7(8(11)16)4-5-13-14-9/h4-5H,6H2,1-3H3,(H2,11,16)(H,12,14)
InChIKeyYVPLXXKCXRINIO-UHFFFAOYSA-N
XLogP0.95
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide
CID 80512264
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid
CID 104765960
3-(pentylamino)pyridazine-4-carbothioamide
CID 80510880
2-[(2-methoxy-2-methylpropyl)amino]quinoline-3-carbothioamide
CID 104761836
2-[(4-carbamothioylpyridazin-3-yl)amino]-2-methylpropanamide
CID 80511155
3-(oxan-4-ylmethylamino)pyridazine-4-carbothioamide
CID 80511706
3-[(2-methoxyphenyl)methylamino]pyridazine-4-carbothioamide
CID 80510898
3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide
CID 106010196
2-[(4-carbamothioylpyridazin-3-yl)amino]-N-propan-2-ylacetamide
CID 80512381
3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide
CID 80511799
3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide
CID 83016391
3-[(4-chlorophenyl)methylamino]pyridazine-4-carbothioamide
CID 80512063

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide?
The IUPAC name of 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide (CID 104761839) is 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide.
What is the SMILES notation for 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide?
The canonical SMILES for 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide is COC(C)(C)CNc1nnccc1C(N)=S.
What is the InChIKey of 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide?
The InChIKey is YVPLXXKCXRINIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-10(2,15-3)6-12-9-7(8(11)16)4-5-13-14-9/h4-5H,6H2,1-3H3,(H2,11,16)(H,12,14).
What are the key properties of 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide?
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide has a molecular weight of 240.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide is sourced from PubChem (CID 104761839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).