3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one

C7H12N4O2S — CID 164657346

IUPAC3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one
SMILES[H]N=S(=O)(Nc1ccc(=O)[nH]n1)C(C)C
InChIInChI=1S/C7H12N4O2S/c1-5(2)14(8,13)11-6-3-4-7(12)10-9-6/h3-5H,1-2H3,(H,10,12)(H2,8,9,11,13)
InChIKeyYSFVVPQLPTXUNA-UHFFFAOYSA-N
MW216.27 g/mol
LogP0.55
Rot. Bonds3

About 3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one

3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one (PubChem CID 164657346) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one
PubChem CID164657346
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one
SMILES[H]N=S(=O)(Nc1ccc(=O)[nH]n1)C(C)C
InChIInChI=1S/C7H12N4O2S/c1-5(2)14(8,13)11-6-3-4-7(12)10-9-6/h3-5H,1-2H3,(H,10,12)(H2,8,9,11,13)
InChIKeyYSFVVPQLPTXUNA-UHFFFAOYSA-N
XLogP0.55
TPSA98.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one (CID 164657346) is 3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one is [H]N=S(=O)(Nc1ccc(=O)[nH]n1)C(C)C.
What is the InChIKey of 3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one?
The InChIKey is YSFVVPQLPTXUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-5(2)14(8,13)11-6-3-4-7(12)10-9-6/h3-5H,1-2H3,(H,10,12)(H2,8,9,11,13).
What are the key properties of 3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one?
3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one has a molecular weight of 216.27 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylsulfonimidoyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 164657346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).