4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane

C14H22N2O — CID 143162575

IUPAC4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane
SMILESC/C=C\c1c(/C=C\CC)c(C)n[nH]c1=O.CC
InChIInChI=1S/C12H16N2O.C2H6/c1-4-6-8-10-9(3)13-14-12(15)11(10)7-5-2;1-2/h5-8H,4H2,1-3H3,(H,14,15);1-2H3/b7-5-,8-6-;
InChIKeyZSTGIDYYHIOJBJ-OVDGFJEXSA-N
MW234.34 g/mol
LogP3.56
Rot. Bonds3

About 4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane

4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane (PubChem CID 143162575) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane
PubChem CID143162575
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane
SMILESC/C=C\c1c(/C=C\CC)c(C)n[nH]c1=O.CC
InChIInChI=1S/C12H16N2O.C2H6/c1-4-6-8-10-9(3)13-14-12(15)11(10)7-5-2;1-2/h5-8H,4H2,1-3H3,(H,14,15);1-2H3/b7-5-,8-6-;
InChIKeyZSTGIDYYHIOJBJ-OVDGFJEXSA-N
XLogP3.56
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydrocinnolin-3-one
CID 234722
Cetohexazine
CID 193965
5,6-Dimethylpyridazin-3-ol
CID 50987709
Benzodiazepine-dione
CID 54405697
Fluorocinnolone
CID 90896318
Benzodiazocinone
CID 20213255
3-tert-butyl-5-ethyl-1H-pyridazin-6-one
CID 68097456
5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione
CID 90849659
3-tert-butyl-5-methyl-1H-pyridazin-6-one
CID 134986952
3-ethyl-5-(fluoromethyl)-1H-pyridazin-6-one
CID 171492865
6-Ethyl-4-methylpyridazin-3(2H)-one
CID 10080466
4-methyl-2H-cinnolin-3-one
CID 13614111

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane?
The IUPAC name of 4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane (CID 143162575) is 4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane?
The canonical SMILES for 4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane is C/C=C\c1c(/C=C\CC)c(C)n[nH]c1=O.CC.
What is the InChIKey of 4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane?
The InChIKey is ZSTGIDYYHIOJBJ-OVDGFJEXSA-N. The full InChI is InChI=1S/C12H16N2O.C2H6/c1-4-6-8-10-9(3)13-14-12(15)11(10)7-5-2;1-2/h5-8H,4H2,1-3H3,(H,14,15);1-2H3/b7-5-,8-6-;.
What are the key properties of 4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane?
4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane has a molecular weight of 234.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane is sourced from PubChem (CID 143162575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).