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

C8H13N3OS — CID 116788220

IUPAC6-amino-2-(3-methylsulfanylpropyl)pyridazin-3-one
SMILESCSCCCn1nc(N)ccc1=O
InChIInChI=1S/C8H13N3OS/c1-13-6-2-5-11-8(12)4-3-7(9)10-11/h3-4H,2,5-6H2,1H3,(H2,9,10)
InChIKeyGCQKEHNOVFKMJG-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.58
Rot. Bonds4

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

6-amino-2-(3-methylsulfanylpropyl)pyridazin-3-one (PubChem CID 116788220) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 6-amino-2-(3-methylsulfanylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-(3-methylsulfanylpropyl)pyridazin-3-one
PubChem CID116788220
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name6-amino-2-(3-methylsulfanylpropyl)pyridazin-3-one
SMILESCSCCCn1nc(N)ccc1=O
InChIInChI=1S/C8H13N3OS/c1-13-6-2-5-11-8(12)4-3-7(9)10-11/h3-4H,2,5-6H2,1H3,(H2,9,10)
InChIKeyGCQKEHNOVFKMJG-UHFFFAOYSA-N
XLogP0.58
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.58
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
6-Amino-2-propylpyridazin-3-one
CID 82467415
6-Amino-2-butylpyridazin-3-one
CID 82467417
2-(3-Ethylsulfanylpropyl)pyridazin-3-one
CID 104863719
6-Amino-2-(2-ethylsulfonylethyl)pyridazin-3-one
CID 106729461
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-(2-methylsulfanylethyl)pyridazin-3-one
CID 116788221
6-Amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one
CID 116788247
6-Amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one
CID 116788362
6-Amino-2-(2-methylsulfonylethyl)pyridazin-3-one
CID 116788372

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(3-methylsulfanylpropyl)pyridazin-3-one?
The IUPAC name of 6-amino-2-(3-methylsulfanylpropyl)pyridazin-3-one (CID 116788220) is 6-amino-2-(3-methylsulfanylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-2-(3-methylsulfanylpropyl)pyridazin-3-one?
The canonical SMILES for 6-amino-2-(3-methylsulfanylpropyl)pyridazin-3-one is CSCCCn1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-(3-methylsulfanylpropyl)pyridazin-3-one?
The InChIKey is GCQKEHNOVFKMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-13-6-2-5-11-8(12)4-3-7(9)10-11/h3-4H,2,5-6H2,1H3,(H2,9,10).
What are the key properties of 6-amino-2-(3-methylsulfanylpropyl)pyridazin-3-one?
6-amino-2-(3-methylsulfanylpropyl)pyridazin-3-one has a molecular weight of 199.28 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(3-methylsulfanylpropyl)pyridazin-3-one is sourced from PubChem (CID 116788220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).