4-amino-2,6-dimethylpyridazin-3-one

C6H9N3O — CID 55281972

IUPAC4-amino-2,6-dimethylpyridazin-3-one
SMILESCc1cc(N)c(=O)n(C)n1
InChIInChI=1S/C6H9N3O/c1-4-3-5(7)6(10)9(2)8-4/h3H,7H2,1-2H3
InChIKeyRBRAVORZNRKDBX-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.33
Rot. Bonds

About 4-amino-2,6-dimethylpyridazin-3-one

4-amino-2,6-dimethylpyridazin-3-one (PubChem CID 55281972) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 4-amino-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2,6-dimethylpyridazin-3-one
PubChem CID55281972
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name4-amino-2,6-dimethylpyridazin-3-one
SMILESCc1cc(N)c(=O)n(C)n1
InChIInChI=1S/C6H9N3O/c1-4-3-5(7)6(10)9(2)8-4/h3H,7H2,1-2H3
InChIKeyRBRAVORZNRKDBX-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 4-amino-2,6-dimethylpyridazin-3-one?
The IUPAC name of 4-amino-2,6-dimethylpyridazin-3-one (CID 55281972) is 4-amino-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for 4-amino-2,6-dimethylpyridazin-3-one?
The canonical SMILES for 4-amino-2,6-dimethylpyridazin-3-one is Cc1cc(N)c(=O)n(C)n1.
What is the InChIKey of 4-amino-2,6-dimethylpyridazin-3-one?
The InChIKey is RBRAVORZNRKDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-3-5(7)6(10)9(2)8-4/h3H,7H2,1-2H3.
What are the key properties of 4-amino-2,6-dimethylpyridazin-3-one?
4-amino-2,6-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 4-amino-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 55281972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).