6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one

C14H24N2O2S — CID 105062260

IUPAC6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one
SMILESCCCC(CS)(CCC)Cn1nc(OC)ccc1=O
InChIInChI=1S/C14H24N2O2S/c1-4-8-14(11-19,9-5-2)10-16-13(17)7-6-12(15-16)18-3/h6-7,19H,4-5,8-11H2,1-3H3
InChIKeyVQIIFIPUYZCTSS-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.77
Rot. Bonds8

About 6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one

6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one (PubChem CID 105062260) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one
PubChem CID105062260
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one
SMILESCCCC(CS)(CCC)Cn1nc(OC)ccc1=O
InChIInChI=1S/C14H24N2O2S/c1-4-8-14(11-19,9-5-2)10-16-13(17)7-6-12(15-16)18-3/h6-7,19H,4-5,8-11H2,1-3H3
InChIKeyVQIIFIPUYZCTSS-UHFFFAOYSA-N
XLogP2.77
TPSA44.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one (CID 105062260) is 6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one is CCCC(CS)(CCC)Cn1nc(OC)ccc1=O.
What is the InChIKey of 6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one?
The InChIKey is VQIIFIPUYZCTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-8-14(11-19,9-5-2)10-16-13(17)7-6-12(15-16)18-3/h6-7,19H,4-5,8-11H2,1-3H3.
What are the key properties of 6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one?
6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one has a molecular weight of 284.43 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one is sourced from PubChem (CID 105062260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).