(4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one

C9H12N2O — CID 123338280

IUPAC(4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one
SMILESC/C=c1/c(C)n[nH]c(=O)/c1=C/C
InChIInChI=1S/C9H12N2O/c1-4-7-6(3)10-11-9(12)8(7)5-2/h4-5H,1-3H3,(H,11,12)/b7-4-,8-5+
InChIKeyOZTPOOQBHUZFIW-DKBJKEKUSA-N
MW164.21 g/mol
LogP-0.32
Rot. Bonds

About (4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one

(4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one (PubChem CID 123338280) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one
PubChem CID123338280
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one
SMILESC/C=c1/c(C)n[nH]c(=O)/c1=C/C
InChIInChI=1S/C9H12N2O/c1-4-7-6(3)10-11-9(12)8(7)5-2/h4-5H,1-3H3,(H,11,12)/b7-4-,8-5+
InChIKeyOZTPOOQBHUZFIW-DKBJKEKUSA-N
XLogP-0.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-3-methyl-1H-pyridazin-6-one
CID 54103257
3-tert-butyl-5-ethyl-1H-pyridazin-6-one
CID 68097456
5-ethyl-3,4-dimethyl-1H-pyridazin-6-one
CID 134913192
3-Methyl-4-(3'-pentylmethylene)-5-pyrazolone
CID 129786397
5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one
CID 171493514
6-Ethyl-4-methylpyridazin-3(2H)-one
CID 10080466
(4E)-4-ethylidene-3-methyl-1H-pyrazol-5-one
CID 12451774
5-methyl-3-propyl-1H-pyridazin-6-one
CID 53926982
3-methyl-5-propyl-1H-pyridazin-6-one
CID 54501816
(4Z)-3-methyl-4-[(E)-4-methylpent-2-enylidene]-1H-pyrazol-5-one
CID 59887958
(4Z)-4-[(E)-4-methylpent-2-enylidene]-3-propyl-1H-pyrazol-5-one
CID 59887976
3,5-di(propan-2-yl)-1H-pyridazin-6-one
CID 60085381

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one (CID 123338280) is (4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one is C/C=c1/c(C)n[nH]c(=O)/c1=C/C.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one?
The InChIKey is OZTPOOQBHUZFIW-DKBJKEKUSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-7-6(3)10-11-9(12)8(7)5-2/h4-5H,1-3H3,(H,11,12)/b7-4-,8-5+.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one?
(4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one has a molecular weight of 164.21 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 123338280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).