6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one

C9H15N3OS — CID 116788362

IUPAC6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one
SMILESCCSCCCn1nc(N)ccc1=O
InChIInChI=1S/C9H15N3OS/c1-2-14-7-3-6-12-9(13)5-4-8(10)11-12/h4-5H,2-3,6-7H2,1H3,(H2,10,11)
InChIKeyVXOZROJQOIQBTQ-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.97
Rot. Bonds5

About 6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one

6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one (PubChem CID 116788362) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one
PubChem CID116788362
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one
SMILESCCSCCCn1nc(N)ccc1=O
InChIInChI=1S/C9H15N3OS/c1-2-14-7-3-6-12-9(13)5-4-8(10)11-12/h4-5H,2-3,6-7H2,1H3,(H2,10,11)
InChIKeyVXOZROJQOIQBTQ-UHFFFAOYSA-N
XLogP0.97
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one
CID 116788258
2-(3-Ethylsulfanylpropyl)pyridazin-3-one
CID 104863719
6-Amino-2-(2-ethylsulfonylethyl)pyridazin-3-one
CID 106729461
6-Amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one
CID 106729462
6-Amino-2-(2-propylsulfonylethyl)pyridazin-3-one
CID 106729463
6-Amino-2-(2-propan-2-ylsulfonylethyl)pyridazin-3-one
CID 106729464
6-Amino-2-(3-methylsulfonylpropyl)pyridazin-3-one
CID 116788177
6-Amino-2-(3-methylsulfanylpropyl)pyridazin-3-one
CID 116788220
6-Amino-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 116788221
6-Amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one
CID 116788247
6-Amino-2-(2-methylsulfonylethyl)pyridazin-3-one
CID 116788372
6-Amino-2-(2-ethylsulfanylethyl)pyridazin-3-one
CID 116788415

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one?
The IUPAC name of 6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one (CID 116788362) is 6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one?
The canonical SMILES for 6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one is CCSCCCn1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one?
The InChIKey is VXOZROJQOIQBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-14-7-3-6-12-9(13)5-4-8(10)11-12/h4-5H,2-3,6-7H2,1H3,(H2,10,11).
What are the key properties of 6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one?
6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one has a molecular weight of 213.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one is sourced from PubChem (CID 116788362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).