5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one

C7H11N3OS — CID 103218236

IUPAC5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one
SMILESCSCCn1ncc(N)cc1=O
InChIInChI=1S/C7H11N3OS/c1-12-3-2-10-7(11)4-6(8)5-9-10/h4-5H,2-3,8H2,1H3
InChIKeyAOXMQZYJMYIZGS-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.19
Rot. Bonds3

About 5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one

5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one (PubChem CID 103218236) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one
PubChem CID103218236
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one
SMILESCSCCn1ncc(N)cc1=O
InChIInChI=1S/C7H11N3OS/c1-12-3-2-10-7(11)4-6(8)5-9-10/h4-5H,2-3,8H2,1H3
InChIKeyAOXMQZYJMYIZGS-UHFFFAOYSA-N
XLogP0.19
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-Dihydro-7-methyl-2h-pyridazino[4,5-b]-1,4-thiazin-8(7h)-one
CID 12946329
5-Amino-2-propan-2-ylpyridazin-3-one
CID 20513821
5-Amino-2-(2-methylsulfonylethyl)pyridazin-3-one
CID 103218183
5-Amino-2-propylpyridazin-3-one
CID 103218210
5-Amino-2-(2-ethylsulfanylethyl)pyridazin-3-one
CID 103218237
5-Amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one
CID 103218262
5-Amino-2-ethylpyridazin-3-one
CID 103218288
5-Amino-2-(3-methylsulfanylpropyl)pyridazin-3-one
CID 103218308
5-Amino-2-(3-methylsulfonylpropyl)pyridazin-3-one
CID 103218404
5-Amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one
CID 103218445
5-(Methylamino)-2-(2-methylsulfonylethyl)pyridazin-3-one
CID 103218462
5-(Methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 103218515

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one (CID 103218236) is 5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one is CSCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one?
The InChIKey is AOXMQZYJMYIZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-12-3-2-10-7(11)4-6(8)5-9-10/h4-5H,2-3,8H2,1H3.
What are the key properties of 5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one?
5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one has a molecular weight of 185.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methylsulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 103218236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).