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

C10H16N4S — CID 80512264

IUPAC3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide
SMILESCC(C)(C)CNc1nnccc1C(N)=S
InChIInChI=1S/C10H16N4S/c1-10(2,3)6-12-9-7(8(11)15)4-5-13-14-9/h4-5H,6H2,1-3H3,(H2,11,15)(H,12,14)
InChIKeyRUEBHHLWAOTWQL-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.57
Rot. Bonds3

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

3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide (PubChem CID 80512264) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide
PubChem CID80512264
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide
SMILESCC(C)(C)CNc1nnccc1C(N)=S
InChIInChI=1S/C10H16N4S/c1-10(2,3)6-12-9-7(8(11)15)4-5-13-14-9/h4-5H,6H2,1-3H3,(H2,11,15)(H,12,14)
InChIKeyRUEBHHLWAOTWQL-UHFFFAOYSA-N
XLogP1.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide
CID 104761839
3-(pentylamino)pyridazine-4-carbothioamide
CID 80510880
3-[(1-methylsulfanylcyclopentyl)methylamino]pyridazine-4-carbothioamide
CID 114116400
2-[(4-carbamothioylpyridazin-3-yl)amino]-2-methylpropanamide
CID 80511155
3-[(4-methyloxan-4-yl)methylamino]pyridazine-4-carbothioamide
CID 114125561
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
3-[(3-methyl-4-pyridinyl)methylamino]pyridazine-4-carbothioamide
CID 114700515
3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazine-4-carbothioamide
CID 80511449
3-[(2-methoxyphenyl)methylamino]pyridazine-4-carbothioamide
CID 80510898

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide?
The IUPAC name of 3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide (CID 80512264) is 3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide.
What is the SMILES notation for 3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide?
The canonical SMILES for 3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide is CC(C)(C)CNc1nnccc1C(N)=S.
What is the InChIKey of 3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide?
The InChIKey is RUEBHHLWAOTWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-10(2,3)6-12-9-7(8(11)15)4-5-13-14-9/h4-5H,6H2,1-3H3,(H2,11,15)(H,12,14).
What are the key properties of 3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide?
3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide has a molecular weight of 224.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide is sourced from PubChem (CID 80512264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).