2-methyl-5-sulfanylpyridazin-3-one

C5H6N2OS — CID 177189415

IUPAC2-methyl-5-sulfanylpyridazin-3-one
SMILESCn1ncc(S)cc1=O
InChIInChI=1S/C5H6N2OS/c1-7-5(8)2-4(9)3-6-7/h2-3,9H,1H3
InChIKeyBGVXMEAWUIUHBI-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.07
Rot. Bonds

About 2-methyl-5-sulfanylpyridazin-3-one

2-methyl-5-sulfanylpyridazin-3-one (PubChem CID 177189415) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-methyl-5-sulfanylpyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-sulfanylpyridazin-3-one
PubChem CID177189415
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name2-methyl-5-sulfanylpyridazin-3-one
SMILESCn1ncc(S)cc1=O
InChIInChI=1S/C5H6N2OS/c1-7-5(8)2-4(9)3-6-7/h2-3,9H,1H3
InChIKeyBGVXMEAWUIUHBI-UHFFFAOYSA-N
XLogP0.07
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methylpyridazin-3(2H)-one
CID 12200169
5-Iodo-2-methyl-2,3-dihydropyridazin-3-one
CID 11230092
5-Chloro-2-methylpyridazin-3(2H)-one
CID 12910144
6-Chloro-2-methyl-5-sulfanylpyridazin-3-one
CID 20526148
2-Methyl-5-trimethylstannylpyridazin-3-one
CID 140856352
2-(Trideuteriomethyl)pyridazin-3-one
CID 142526014
2-Chloro-5-sulfanylpyridazin-3-one
CID 142771030
2-Methyl-5-methylsulfanylpyridazin-3-one
CID 155091789
2-Ethyl-5-sulfanylpyridazin-3-one
CID 167137932
(2-Methyl-3-oxopyridazin-4-yl) thiohypochlorite
CID 172614282
1-Methyl-6-oxopyridazine-4-sulfonyl chloride
CID 172614333
(1-Methyl-6-oxopyridazin-4-yl) thiohypochlorite
CID 172614352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-sulfanylpyridazin-3-one?
The IUPAC name of 2-methyl-5-sulfanylpyridazin-3-one (CID 177189415) is 2-methyl-5-sulfanylpyridazin-3-one.
What is the SMILES notation for 2-methyl-5-sulfanylpyridazin-3-one?
The canonical SMILES for 2-methyl-5-sulfanylpyridazin-3-one is Cn1ncc(S)cc1=O.
What is the InChIKey of 2-methyl-5-sulfanylpyridazin-3-one?
The InChIKey is BGVXMEAWUIUHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-7-5(8)2-4(9)3-6-7/h2-3,9H,1H3.
What are the key properties of 2-methyl-5-sulfanylpyridazin-3-one?
2-methyl-5-sulfanylpyridazin-3-one has a molecular weight of 142.18 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-sulfanylpyridazin-3-one is sourced from PubChem (CID 177189415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).