3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one

C9H12N2O — CID 155276783

IUPAC3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one
SMILESC=C(C)c1cc(CC)n[nH]c1=O
InChIInChI=1S/C9H12N2O/c1-4-7-5-8(6(2)3)9(12)11-10-7/h5H,2,4H2,1,3H3,(H,11,12)
InChIKeyBCWMZSXDNZNXPZ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.37
Rot. Bonds2

About 3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one

3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one (PubChem CID 155276783) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one
PubChem CID155276783
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one
SMILESC=C(C)c1cc(CC)n[nH]c1=O
InChIInChI=1S/C9H12N2O/c1-4-7-5-8(6(2)3)9(12)11-10-7/h5H,2,4H2,1,3H3,(H,11,12)
InChIKeyBCWMZSXDNZNXPZ-UHFFFAOYSA-N
XLogP1.37
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one?
The IUPAC name of 3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one (CID 155276783) is 3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one is C=C(C)c1cc(CC)n[nH]c1=O.
What is the InChIKey of 3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one?
The InChIKey is BCWMZSXDNZNXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-7-5-8(6(2)3)9(12)11-10-7/h5H,2,4H2,1,3H3,(H,11,12).
What are the key properties of 3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one?
3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one has a molecular weight of 164.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 155276783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).