3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide

C8H12N4OS — CID 80511976

IUPAC3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide
SMILESCN(CCO)c1nnccc1C(N)=S
InChIInChI=1S/C8H12N4OS/c1-12(4-5-13)8-6(7(9)14)2-3-10-11-8/h2-3,13H,4-5H2,1H3,(H2,9,14)
InChIKeyKWZPYFWBOPJABY-UHFFFAOYSA-N
MW212.28 g/mol
LogP-0.46
Rot. Bonds4

About 3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide

3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide (PubChem CID 80511976) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide
PubChem CID80511976
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide
SMILESCN(CCO)c1nnccc1C(N)=S
InChIInChI=1S/C8H12N4OS/c1-12(4-5-13)8-6(7(9)14)2-3-10-11-8/h2-3,13H,4-5H2,1H3,(H2,9,14)
InChIKeyKWZPYFWBOPJABY-UHFFFAOYSA-N
XLogP-0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 5-0.46
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-[5-hydroxypentyl(methyl)amino]pyridazine-4-carbothioamide
CID 107199808
ethyl 3-[(4-carbamothioylpyridazin-3-yl)-methylamino]propanoate
CID 80511255
3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbothioamide
CID 80512200
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbothioamide
CID 107479884
2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-methylacetamide
CID 80511917
3-[2-hydroxyethyl(methyl)amino]pyridine-4-carbothioamide
CID 114288238
3-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridazine-4-carbothioamide
CID 80511296
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide
CID 80511340
2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide
CID 80511338
3-[methyl(propyl)amino]pyridazine-4-carboxylic acid
CID 80517652
3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbothioamide
CID 80511271
3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide
CID 80511920

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide (CID 80511976) is 3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide is CN(CCO)c1nnccc1C(N)=S.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide?
The InChIKey is KWZPYFWBOPJABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-12(4-5-13)8-6(7(9)14)2-3-10-11-8/h2-3,13H,4-5H2,1H3,(H2,9,14).
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide?
3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide has a molecular weight of 212.28 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide is sourced from PubChem (CID 80511976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).