5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one

C10H15N3OS — CID 103074098

IUPAC5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CS)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H15N3OS/c1-8(7-15)6-13-10(14)4-9(5-11-13)12(2)3/h4-5,15H,1,6-7H2,2-3H3
InChIKeyCIYKGXJSSOANPW-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.80
Rot. Bonds4

About 5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one

5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one (PubChem CID 103074098) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
PubChem CID103074098
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CS)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H15N3OS/c1-8(7-15)6-13-10(14)4-9(5-11-13)12(2)3/h4-5,15H,1,6-7H2,2-3H3
InChIKeyCIYKGXJSSOANPW-UHFFFAOYSA-N
XLogP0.80
TPSA38.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one (CID 103074098) is 5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one is C=C(CS)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is CIYKGXJSSOANPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8(7-15)6-13-10(14)4-9(5-11-13)12(2)3/h4-5,15H,1,6-7H2,2-3H3.
What are the key properties of 5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 225.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103074098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).