3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide

C12H18N4S — CID 80511920

IUPAC3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide
SMILESCCN(c1nnccc1C(N)=S)C1CCCC1
InChIInChI=1S/C12H18N4S/c1-2-16(9-5-3-4-6-9)12-10(11(13)17)7-8-14-15-12/h7-9H,2-6H2,1H3,(H2,13,17)
InChIKeyRAWWMYQVXADHRU-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.88
Rot. Bonds4

About 3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide

3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide (PubChem CID 80511920) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide
PubChem CID80511920
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide
SMILESCCN(c1nnccc1C(N)=S)C1CCCC1
InChIInChI=1S/C12H18N4S/c1-2-16(9-5-3-4-6-9)12-10(11(13)17)7-8-14-15-12/h7-9H,2-6H2,1H3,(H2,13,17)
InChIKeyRAWWMYQVXADHRU-UHFFFAOYSA-N
XLogP1.88
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide
CID 112755316
2-[cyclohexyl(ethyl)amino]benzenecarbothioamide
CID 28601827
3-[cyclopentyl(2-hydroxyethyl)amino]pyridazine-4-carboximidamide
CID 80513497
3-[2-hydroxyethyl(methyl)amino]pyridazine-4-carbothioamide
CID 80511976
3-[1-cyclopropylethyl(methyl)amino]pyridazine-4-carbothioamide
CID 80511923
3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbothioamide
CID 80512200
2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide
CID 80511338
2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate
CID 21451098
3-[5-hydroxypentyl(methyl)amino]pyridazine-4-carbothioamide
CID 107199808
3-[cyclopentyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513212
3-(N-ethyl-3-fluoroanilino)pyridazine-4-carbothioamide
CID 80511154
3-[propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbothioamide
CID 80511271

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide?
The IUPAC name of 3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide (CID 80511920) is 3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide.
What is the SMILES notation for 3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide?
The canonical SMILES for 3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide is CCN(c1nnccc1C(N)=S)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide?
The InChIKey is RAWWMYQVXADHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-2-16(9-5-3-4-6-9)12-10(11(13)17)7-8-14-15-12/h7-9H,2-6H2,1H3,(H2,13,17).
What are the key properties of 3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide?
3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide has a molecular weight of 250.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide is sourced from PubChem (CID 80511920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).