1-ethyl-3-(pyridazin-3-ylmethyl)thiourea

C8H12N4S — CID 106831708

IUPAC1-ethyl-3-(pyridazin-3-ylmethyl)thiourea
SMILESCCNC(=S)NCc1cccnn1
InChIInChI=1S/C8H12N4S/c1-2-9-8(13)10-6-7-4-3-5-11-12-7/h3-5H,2,6H2,1H3,(H2,9,10,13)
InChIKeyDLOOLJTUEHXYJV-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.46
Rot. Bonds3

About 1-ethyl-3-(pyridazin-3-ylmethyl)thiourea

1-ethyl-3-(pyridazin-3-ylmethyl)thiourea (PubChem CID 106831708) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 1-ethyl-3-(pyridazin-3-ylmethyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(pyridazin-3-ylmethyl)thiourea
PubChem CID106831708
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name1-ethyl-3-(pyridazin-3-ylmethyl)thiourea
SMILESCCNC(=S)NCc1cccnn1
InChIInChI=1S/C8H12N4S/c1-2-9-8(13)10-6-7-4-3-5-11-12-7/h3-5H,2,6H2,1H3,(H2,9,10,13)
InChIKeyDLOOLJTUEHXYJV-UHFFFAOYSA-N
XLogP0.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[2-(pyridazin-3-ylmethylamino)ethyl]thiourea
CID 20557856
2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide
CID 106896266
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896008
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896058
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
(2R)-2-amino-N-(pyridazin-3-ylmethyl)pentanamide
CID 107570944
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide
CID 106896146
2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106834522
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)propanamide
CID 106895482
1-benzyl-3-(pyridazin-3-ylmethyl)urea
CID 106831656

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(pyridazin-3-ylmethyl)thiourea?
The IUPAC name of 1-ethyl-3-(pyridazin-3-ylmethyl)thiourea (CID 106831708) is 1-ethyl-3-(pyridazin-3-ylmethyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(pyridazin-3-ylmethyl)thiourea?
The canonical SMILES for 1-ethyl-3-(pyridazin-3-ylmethyl)thiourea is CCNC(=S)NCc1cccnn1.
What is the InChIKey of 1-ethyl-3-(pyridazin-3-ylmethyl)thiourea?
The InChIKey is DLOOLJTUEHXYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c1-2-9-8(13)10-6-7-4-3-5-11-12-7/h3-5H,2,6H2,1H3,(H2,9,10,13).
What are the key properties of 1-ethyl-3-(pyridazin-3-ylmethyl)thiourea?
1-ethyl-3-(pyridazin-3-ylmethyl)thiourea has a molecular weight of 196.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(pyridazin-3-ylmethyl)thiourea is sourced from PubChem (CID 106831708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).