2-propan-2-yl-1,3-dihydropyridazin-6-one

C7H12N2O — CID 154392572

IUPAC2-propan-2-yl-1,3-dihydropyridazin-6-one
SMILESCC(C)N1CC=CC(=O)N1
InChIInChI=1S/C7H12N2O/c1-6(2)9-5-3-4-7(10)8-9/h3-4,6H,5H2,1-2H3,(H,8,10)
InChIKeyAKFXZSDOWCDPTA-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.30
Rot. Bonds1

About 2-propan-2-yl-1,3-dihydropyridazin-6-one

2-propan-2-yl-1,3-dihydropyridazin-6-one (PubChem CID 154392572) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-dihydropyridazin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-1,3-dihydropyridazin-6-one
PubChem CID154392572
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-propan-2-yl-1,3-dihydropyridazin-6-one
SMILESCC(C)N1CC=CC(=O)N1
InChIInChI=1S/C7H12N2O/c1-6(2)9-5-3-4-7(10)8-9/h3-4,6H,5H2,1-2H3,(H,8,10)
InChIKeyAKFXZSDOWCDPTA-UHFFFAOYSA-N
XLogP0.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
Crotonic 2,2-dimethylhydrazide
CID 21704825
6-hydroxy-2-isopropyl-3(2H)-pyridazinone
CID 11378616
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
2-Amino-1,3-dihydropyridazin-6-one
CID 19033990
6-Oxo-1,3-dihydropyridazine-2-carbonitrile
CID 19375483
2-(3,6-dioxo-1H-pyridazin-2-yl)propanenitrile
CID 21446914
2-Methyl-1,6-dihydropyridazin-3-one
CID 57672228
2-Tert-butyl-1,6-dihydropyridazin-3-one
CID 57672233
N',N'-diethylprop-2-enehydrazide
CID 58945457
N',N'-bis(prop-2-enyl)prop-2-enehydrazide
CID 88193032
2-Methyl-1,3-dihydropyridazin-6-one
CID 91015204

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-dihydropyridazin-6-one?
The IUPAC name of 2-propan-2-yl-1,3-dihydropyridazin-6-one (CID 154392572) is 2-propan-2-yl-1,3-dihydropyridazin-6-one.
What is the SMILES notation for 2-propan-2-yl-1,3-dihydropyridazin-6-one?
The canonical SMILES for 2-propan-2-yl-1,3-dihydropyridazin-6-one is CC(C)N1CC=CC(=O)N1.
What is the InChIKey of 2-propan-2-yl-1,3-dihydropyridazin-6-one?
The InChIKey is AKFXZSDOWCDPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(2)9-5-3-4-7(10)8-9/h3-4,6H,5H2,1-2H3,(H,8,10).
What are the key properties of 2-propan-2-yl-1,3-dihydropyridazin-6-one?
2-propan-2-yl-1,3-dihydropyridazin-6-one has a molecular weight of 140.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-dihydropyridazin-6-one is sourced from PubChem (CID 154392572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).