5-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one

C11H17N3OS — CID 103074101

IUPAC5-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CS)Cn1ncc(N(C)CC)cc1=O
InChIInChI=1S/C11H17N3OS/c1-4-13(3)10-5-11(15)14(12-6-10)7-9(2)8-16/h5-6,16H,2,4,7-8H2,1,3H3
InChIKeyYMHCKFAKRSECAF-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.19
Rot. Bonds5

About 5-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one

5-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one (PubChem CID 103074101) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
PubChem CID103074101
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name5-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CS)Cn1ncc(N(C)CC)cc1=O
InChIInChI=1S/C11H17N3OS/c1-4-13(3)10-5-11(15)14(12-6-10)7-9(2)8-16/h5-6,16H,2,4,7-8H2,1,3H3
InChIKeyYMHCKFAKRSECAF-UHFFFAOYSA-N
XLogP1.19
TPSA38.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.19
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-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 5-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one (CID 103074101) is 5-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one is C=C(CS)Cn1ncc(N(C)CC)cc1=O.
What is the InChIKey of 5-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is YMHCKFAKRSECAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-4-13(3)10-5-11(15)14(12-6-10)7-9(2)8-16/h5-6,16H,2,4,7-8H2,1,3H3.
What are the key properties of 5-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one?
5-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 239.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103074101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).