4-amino-2-methyl-5-sulfanylpyridazin-3-one

C5H7N3OS — CID 13046008

IUPAC4-amino-2-methyl-5-sulfanylpyridazin-3-one
SMILESCn1ncc(S)c(N)c1=O
InChIInChI=1S/C5H7N3OS/c1-8-5(9)4(6)3(10)2-7-8/h2,10H,6H2,1H3
InChIKeyXEIKNZNBGPMRJM-UHFFFAOYSA-N
MW157.20 g/mol
LogP-0.35
Rot. Bonds

About 4-amino-2-methyl-5-sulfanylpyridazin-3-one

4-amino-2-methyl-5-sulfanylpyridazin-3-one (PubChem CID 13046008) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is 4-amino-2-methyl-5-sulfanylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-methyl-5-sulfanylpyridazin-3-one
PubChem CID13046008
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name4-amino-2-methyl-5-sulfanylpyridazin-3-one
SMILESCn1ncc(S)c(N)c1=O
InChIInChI=1S/C5H7N3OS/c1-8-5(9)4(6)3(10)2-7-8/h2,10H,6H2,1H3
InChIKeyXEIKNZNBGPMRJM-UHFFFAOYSA-N
XLogP-0.35
TPSA60.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5-sulfanylpyridazin-3-one?
The IUPAC name of 4-amino-2-methyl-5-sulfanylpyridazin-3-one (CID 13046008) is 4-amino-2-methyl-5-sulfanylpyridazin-3-one.
What is the SMILES notation for 4-amino-2-methyl-5-sulfanylpyridazin-3-one?
The canonical SMILES for 4-amino-2-methyl-5-sulfanylpyridazin-3-one is Cn1ncc(S)c(N)c1=O.
What is the InChIKey of 4-amino-2-methyl-5-sulfanylpyridazin-3-one?
The InChIKey is XEIKNZNBGPMRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-8-5(9)4(6)3(10)2-7-8/h2,10H,6H2,1H3.
What are the key properties of 4-amino-2-methyl-5-sulfanylpyridazin-3-one?
4-amino-2-methyl-5-sulfanylpyridazin-3-one has a molecular weight of 157.20 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-sulfanylpyridazin-3-one is sourced from PubChem (CID 13046008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).