3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one

C9H15N3O — CID 126992242

IUPAC3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one
SMILESCC(C)(C)CNc1ccc(=O)[nH]n1
InChIInChI=1S/C9H15N3O/c1-9(2,3)6-10-7-4-5-8(13)12-11-7/h4-5H,6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyBALJFGIMICCMHY-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.23
Rot. Bonds2

About 3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one

3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one (PubChem CID 126992242) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one
PubChem CID126992242
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one
SMILESCC(C)(C)CNc1ccc(=O)[nH]n1
InChIInChI=1S/C9H15N3O/c1-9(2,3)6-10-7-4-5-8(13)12-11-7/h4-5H,6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyBALJFGIMICCMHY-UHFFFAOYSA-N
XLogP1.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one?
The IUPAC name of 3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one (CID 126992242) is 3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one is CC(C)(C)CNc1ccc(=O)[nH]n1.
What is the InChIKey of 3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one?
The InChIKey is BALJFGIMICCMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)6-10-7-4-5-8(13)12-11-7/h4-5H,6H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one?
3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one has a molecular weight of 181.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 126992242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).