3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide

C10H12N6S — CID 80512148

IUPAC3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1NCCn1cccn1
InChIInChI=1S/C10H12N6S/c11-9(17)8-2-4-13-15-10(8)12-5-7-16-6-1-3-14-16/h1-4,6H,5,7H2,(H2,11,17)(H,12,15)
InChIKeyLTFDEJQHHIOXCB-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.42
Rot. Bonds5

About 3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide

3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide (PubChem CID 80512148) has the molecular formula C10H12N6S and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide
PubChem CID80512148
Molecular FormulaC10H12N6S
Molecular Weight248.32 g/mol
Exact Mass248.08
IUPAC Name3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1NCCn1cccn1
InChIInChI=1S/C10H12N6S/c11-9(17)8-2-4-13-15-10(8)12-5-7-16-6-1-3-14-16/h1-4,6H,5,7H2,(H2,11,17)(H,12,15)
InChIKeyLTFDEJQHHIOXCB-UHFFFAOYSA-N
XLogP0.42
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-4-(2-pyrazol-1-ylethylamino)benzenecarbothioamide
CID 107934666
3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide
CID 80512264
3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazine-4-carbothioamide
CID 80511449
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carboxamide
CID 54951840
3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide
CID 114139207
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide
CID 104761839
3-[(4-chlorophenyl)methylamino]pyridazine-4-carbothioamide
CID 80512063
3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide
CID 80511281
3-[(2-methoxyphenyl)methylamino]pyridazine-4-carbothioamide
CID 80510898
6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid
CID 54951300
N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 61462969
2-[(4-carbamothioylpyridazin-3-yl)amino]-N-propan-2-ylacetamide
CID 80512381

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide?
The IUPAC name of 3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide (CID 80512148) is 3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide.
What is the SMILES notation for 3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide?
The canonical SMILES for 3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide is NC(=S)c1ccnnc1NCCn1cccn1.
What is the InChIKey of 3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide?
The InChIKey is LTFDEJQHHIOXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S/c11-9(17)8-2-4-13-15-10(8)12-5-7-16-6-1-3-14-16/h1-4,6H,5,7H2,(H2,11,17)(H,12,15).
What are the key properties of 3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide?
3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide has a molecular weight of 248.32 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide is sourced from PubChem (CID 80512148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).