3-pyridazin-3-ylpent-4-enethioamide

C9H11N3S — CID 88789122

IUPAC3-pyridazin-3-ylpent-4-enethioamide
SMILESC=CC(CC(N)=S)c1cccnn1
InChIInChI=1S/C9H11N3S/c1-2-7(6-9(10)13)8-4-3-5-11-12-8/h2-5,7H,1,6H2,(H2,10,13)
InChIKeyUOJAXCVBNLVDTN-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.42
Rot. Bonds4

About 3-pyridazin-3-ylpent-4-enethioamide

3-pyridazin-3-ylpent-4-enethioamide (PubChem CID 88789122) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-pyridazin-3-ylpent-4-enethioamide.

Molecular Properties

Compound Name3-pyridazin-3-ylpent-4-enethioamide
PubChem CID88789122
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name3-pyridazin-3-ylpent-4-enethioamide
SMILESC=CC(CC(N)=S)c1cccnn1
InChIInChI=1S/C9H11N3S/c1-2-7(6-9(10)13)8-4-3-5-11-12-8/h2-5,7H,1,6H2,(H2,10,13)
InChIKeyUOJAXCVBNLVDTN-UHFFFAOYSA-N
XLogP1.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-3-ylpent-4-enethioamide?
The IUPAC name of 3-pyridazin-3-ylpent-4-enethioamide (CID 88789122) is 3-pyridazin-3-ylpent-4-enethioamide.
What is the SMILES notation for 3-pyridazin-3-ylpent-4-enethioamide?
The canonical SMILES for 3-pyridazin-3-ylpent-4-enethioamide is C=CC(CC(N)=S)c1cccnn1.
What is the InChIKey of 3-pyridazin-3-ylpent-4-enethioamide?
The InChIKey is UOJAXCVBNLVDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-2-7(6-9(10)13)8-4-3-5-11-12-8/h2-5,7H,1,6H2,(H2,10,13).
What are the key properties of 3-pyridazin-3-ylpent-4-enethioamide?
3-pyridazin-3-ylpent-4-enethioamide has a molecular weight of 193.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-3-ylpent-4-enethioamide is sourced from PubChem (CID 88789122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).