5-amino-2,4-dimethylpyridazin-3-one

C6H9N3O — CID 170978729

IUPAC5-amino-2,4-dimethylpyridazin-3-one
SMILESCc1c(N)cnn(C)c1=O
InChIInChI=1S/C6H9N3O/c1-4-5(7)3-8-9(2)6(4)10/h3H,7H2,1-2H3
InChIKeyJSRVIAJRFXDMFF-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.33
Rot. Bonds

About 5-amino-2,4-dimethylpyridazin-3-one

5-amino-2,4-dimethylpyridazin-3-one (PubChem CID 170978729) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-amino-2,4-dimethylpyridazin-3-one.

Molecular Properties

Compound Name5-amino-2,4-dimethylpyridazin-3-one
PubChem CID170978729
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-amino-2,4-dimethylpyridazin-3-one
SMILESCc1c(N)cnn(C)c1=O
InChIInChI=1S/C6H9N3O/c1-4-5(7)3-8-9(2)6(4)10/h3H,7H2,1-2H3
InChIKeyJSRVIAJRFXDMFF-UHFFFAOYSA-N
XLogP-0.33
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethylpyridazin-3-one?
The IUPAC name of 5-amino-2,4-dimethylpyridazin-3-one (CID 170978729) is 5-amino-2,4-dimethylpyridazin-3-one.
What is the SMILES notation for 5-amino-2,4-dimethylpyridazin-3-one?
The canonical SMILES for 5-amino-2,4-dimethylpyridazin-3-one is Cc1c(N)cnn(C)c1=O.
What is the InChIKey of 5-amino-2,4-dimethylpyridazin-3-one?
The InChIKey is JSRVIAJRFXDMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-5(7)3-8-9(2)6(4)10/h3H,7H2,1-2H3.
What are the key properties of 5-amino-2,4-dimethylpyridazin-3-one?
5-amino-2,4-dimethylpyridazin-3-one has a molecular weight of 139.16 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethylpyridazin-3-one is sourced from PubChem (CID 170978729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).