3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione

C10H9N3OS — CID 106520590

IUPAC3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione
SMILESCOc1cncc(-c2ccc(=S)[nH]n2)c1
InChIInChI=1S/C10H9N3OS/c1-14-8-4-7(5-11-6-8)9-2-3-10(15)13-12-9/h2-6H,1H3,(H,13,15)
InChIKeyRIZKLQZJLVQQRN-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.21
Rot. Bonds2

About 3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione

3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione (PubChem CID 106520590) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione.

Molecular Properties

Compound Name3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione
PubChem CID106520590
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione
SMILESCOc1cncc(-c2ccc(=S)[nH]n2)c1
InChIInChI=1S/C10H9N3OS/c1-14-8-4-7(5-11-6-8)9-2-3-10(15)13-12-9/h2-6H,1H3,(H,13,15)
InChIKeyRIZKLQZJLVQQRN-UHFFFAOYSA-N
XLogP2.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione
CID 82083568
2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole
CID 137041381
6-(5-methoxy-3-pyridinyl)pyridin-2-amine
CID 39834222
6-(5-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidine-4-thione
CID 106520596
3-(furan-2-yl)-5-methoxypyridine
CID 174589333
4-(5-methoxy-3-pyridinyl)pyridin-2-amine
CID 104877368
2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520603
5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole
CID 146451999
3-methoxy-5-(5-pyridin-3-ylthiophen-2-yl)pyridine
CID 177401684
3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one
CID 20522388
N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine
CID 69114857
3-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine
CID 134627152

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione?
The IUPAC name of 3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione (CID 106520590) is 3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione.
What is the SMILES notation for 3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione?
The canonical SMILES for 3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione is COc1cncc(-c2ccc(=S)[nH]n2)c1.
What is the InChIKey of 3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione?
The InChIKey is RIZKLQZJLVQQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-14-8-4-7(5-11-6-8)9-2-3-10(15)13-12-9/h2-6H,1H3,(H,13,15).
What are the key properties of 3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione?
3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione has a molecular weight of 219.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-3-pyridinyl)-1H-pyridazine-6-thione is sourced from PubChem (CID 106520590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).