3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one

C6H11N3O — CID 11252062

IUPAC3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one
SMILESCC1(C)CC(=O)NN=C1N
InChIInChI=1S/C6H11N3O/c1-6(2)3-4(10)8-9-5(6)7/h3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyDEWNWGRSXMDGDU-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.20
Rot. Bonds

About 3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one

3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one (PubChem CID 11252062) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one
PubChem CID11252062
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one
SMILESCC1(C)CC(=O)NN=C1N
InChIInChI=1S/C6H11N3O/c1-6(2)3-4(10)8-9-5(6)7/h3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyDEWNWGRSXMDGDU-UHFFFAOYSA-N
XLogP-0.20
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one?
The IUPAC name of 3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one (CID 11252062) is 3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one.
What is the SMILES notation for 3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one?
The canonical SMILES for 3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one is CC1(C)CC(=O)NN=C1N.
What is the InChIKey of 3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one?
The InChIKey is DEWNWGRSXMDGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-6(2)3-4(10)8-9-5(6)7/h3H2,1-2H3,(H2,7,9)(H,8,10).
What are the key properties of 3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one?
3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one has a molecular weight of 141.17 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-1,5-dihydropyridazin-6-one is sourced from PubChem (CID 11252062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).