3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one

C10H10N2O — CID 70597603

IUPAC3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one
SMILESO=c1ccc(C2=CC=CCC2)n[nH]1
InChIInChI=1S/C10H10N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-2,4,6-7H,3,5H2,(H,12,13)
InChIKeyBFSDNVFZHSBBIX-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.50
Rot. Bonds1

About 3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one

3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one (PubChem CID 70597603) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one
PubChem CID70597603
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one
SMILESO=c1ccc(C2=CC=CCC2)n[nH]1
InChIInChI=1S/C10H10N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-2,4,6-7H,3,5H2,(H,12,13)
InChIKeyBFSDNVFZHSBBIX-UHFFFAOYSA-N
XLogP1.50
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one (CID 70597603) is 3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one is O=c1ccc(C2=CC=CCC2)n[nH]1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one?
The InChIKey is BFSDNVFZHSBBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-2,4,6-7H,3,5H2,(H,12,13).
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one?
3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one has a molecular weight of 174.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 70597603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).