3-(3-methylpentan-3-yl)-1H-pyridazin-6-one

C10H16N2O — CID 13188688

IUPAC3-(3-methylpentan-3-yl)-1H-pyridazin-6-one
SMILESCCC(C)(CC)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H16N2O/c1-4-10(3,5-2)8-6-7-9(13)12-11-8/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyVJRIHHPKUHHAKD-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.85
Rot. Bonds3

About 3-(3-methylpentan-3-yl)-1H-pyridazin-6-one

3-(3-methylpentan-3-yl)-1H-pyridazin-6-one (PubChem CID 13188688) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(3-methylpentan-3-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-methylpentan-3-yl)-1H-pyridazin-6-one
PubChem CID13188688
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(3-methylpentan-3-yl)-1H-pyridazin-6-one
SMILESCCC(C)(CC)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H16N2O/c1-4-10(3,5-2)8-6-7-9(13)12-11-8/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyVJRIHHPKUHHAKD-UHFFFAOYSA-N
XLogP1.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-3-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-methylpentan-3-yl)-1H-pyridazin-6-one (CID 13188688) is 3-(3-methylpentan-3-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-methylpentan-3-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-methylpentan-3-yl)-1H-pyridazin-6-one is CCC(C)(CC)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-(3-methylpentan-3-yl)-1H-pyridazin-6-one?
The InChIKey is VJRIHHPKUHHAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-10(3,5-2)8-6-7-9(13)12-11-8/h6-7H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 3-(3-methylpentan-3-yl)-1H-pyridazin-6-one?
3-(3-methylpentan-3-yl)-1H-pyridazin-6-one has a molecular weight of 180.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-3-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 13188688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).