5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one

C13H20N2O — CID 155276762

IUPAC5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1cc(C2CC(C)(C)C2)c(=O)[nH]n1
InChIInChI=1S/C13H20N2O/c1-8(2)11-5-10(12(16)15-14-11)9-6-13(3,4)7-9/h5,8-9H,6-7H2,1-4H3,(H,15,16)
InChIKeyPZRFVHBPGLENHV-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.80
Rot. Bonds2

About 5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one

5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one (PubChem CID 155276762) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one
PubChem CID155276762
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1cc(C2CC(C)(C)C2)c(=O)[nH]n1
InChIInChI=1S/C13H20N2O/c1-8(2)11-5-10(12(16)15-14-11)9-6-13(3,4)7-9/h5,8-9H,6-7H2,1-4H3,(H,15,16)
InChIKeyPZRFVHBPGLENHV-UHFFFAOYSA-N
XLogP2.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of 5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one (CID 155276762) is 5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one is CC(C)c1cc(C2CC(C)(C)C2)c(=O)[nH]n1.
What is the InChIKey of 5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is PZRFVHBPGLENHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8(2)11-5-10(12(16)15-14-11)9-6-13(3,4)7-9/h5,8-9H,6-7H2,1-4H3,(H,15,16).
What are the key properties of 5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one?
5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 220.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 155276762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).