ethane;4-methyl-2-propylpyridazin-3-one

C10H18N2O — CID 178099239

IUPACethane;4-methyl-2-propylpyridazin-3-one
SMILESCC.CCCn1nccc(C)c1=O
InChIInChI=1S/C8H12N2O.C2H6/c1-3-6-10-8(11)7(2)4-5-9-10;1-2/h4-5H,3,6H2,1-2H3;1-2H3
InChIKeyWXAJMNGUGNBXLR-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.99
Rot. Bonds2

About ethane;4-methyl-2-propylpyridazin-3-one

ethane;4-methyl-2-propylpyridazin-3-one (PubChem CID 178099239) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is ethane;4-methyl-2-propylpyridazin-3-one.

Molecular Properties

Compound Nameethane;4-methyl-2-propylpyridazin-3-one
PubChem CID178099239
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Nameethane;4-methyl-2-propylpyridazin-3-one
SMILESCC.CCCn1nccc(C)c1=O
InChIInChI=1S/C8H12N2O.C2H6/c1-3-6-10-8(11)7(2)4-5-9-10;1-2/h4-5H,3,6H2,1-2H3;1-2H3
InChIKeyWXAJMNGUGNBXLR-UHFFFAOYSA-N
XLogP1.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3(2H)-Pyridazinone, 2-(2-propenyl)-
CID 12237248
2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
2-(2-Fluorobutyl)pyridazin-3-one
CID 130621297
2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205
2-Ethyl-4-(trifluoromethyl)pyridazin-3-one
CID 159821989
2-Butylpyridazin-3-one
CID 12758395
2-Methyl-3-(6-oxopyridazin-1-yl)propanenitrile
CID 12787609
2,4-Dimethylpyridazin-3(2H)-one
CID 20772174
2-Ethylpyridazin-3-one
CID 21479093
2-Propylpyridazin-3-one
CID 21479118
4-(Aminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 23018232
2-(2-Methylpropyl)pyridazin-3-one
CID 23018253

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-propylpyridazin-3-one?
The IUPAC name of ethane;4-methyl-2-propylpyridazin-3-one (CID 178099239) is ethane;4-methyl-2-propylpyridazin-3-one.
What is the SMILES notation for ethane;4-methyl-2-propylpyridazin-3-one?
The canonical SMILES for ethane;4-methyl-2-propylpyridazin-3-one is CC.CCCn1nccc(C)c1=O.
What is the InChIKey of ethane;4-methyl-2-propylpyridazin-3-one?
The InChIKey is WXAJMNGUGNBXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-3-6-10-8(11)7(2)4-5-9-10;1-2/h4-5H,3,6H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-2-propylpyridazin-3-one?
ethane;4-methyl-2-propylpyridazin-3-one has a molecular weight of 182.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-propylpyridazin-3-one is sourced from PubChem (CID 178099239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).