ethane;5-methyl-2-propan-2-ylpyridazin-3-one

C10H18N2O — CID 169135485

IUPACethane;5-methyl-2-propan-2-ylpyridazin-3-one
SMILESCC.Cc1cnn(C(C)C)c(=O)c1
InChIInChI=1S/C8H12N2O.C2H6/c1-6(2)10-8(11)4-7(3)5-9-10;1-2/h4-6H,1-3H3;1-2H3
InChIKeyOKLDSVRLRKKDRU-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.16
Rot. Bonds1

About ethane;5-methyl-2-propan-2-ylpyridazin-3-one

ethane;5-methyl-2-propan-2-ylpyridazin-3-one (PubChem CID 169135485) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is ethane;5-methyl-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Nameethane;5-methyl-2-propan-2-ylpyridazin-3-one
PubChem CID169135485
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Nameethane;5-methyl-2-propan-2-ylpyridazin-3-one
SMILESCC.Cc1cnn(C(C)C)c(=O)c1
InChIInChI=1S/C8H12N2O.C2H6/c1-6(2)10-8(11)4-7(3)5-9-10;1-2/h4-6H,1-3H3;1-2H3
InChIKeyOKLDSVRLRKKDRU-UHFFFAOYSA-N
XLogP2.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-2,3-dihydropyridazin-3-one
CID 12200173
Trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746486
2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
2-(2,2-Difluoroethyl)-5-methylpyridazin-3-one
CID 130636814
2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205
2-tert-Butyl-5-methyl-2,3-dihydropyridazin-3-one
CID 12778310
2-(Propan-2-yl)-2,3-dihydropyridazin-3-one
CID 19915066
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
5-Methyl-2-(2-oxopropyl)pyridazin-3-one
CID 57907520
2-(3-Methylbutan-2-yl)pyridazin-3-one
CID 58125063
4,5-Dimethyl-2-propan-2-ylpyridazin-3-one
CID 58336857
2-Butan-2-ylpyridazin-3-one
CID 66921964

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-propan-2-ylpyridazin-3-one?
The IUPAC name of ethane;5-methyl-2-propan-2-ylpyridazin-3-one (CID 169135485) is ethane;5-methyl-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for ethane;5-methyl-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for ethane;5-methyl-2-propan-2-ylpyridazin-3-one is CC.Cc1cnn(C(C)C)c(=O)c1.
What is the InChIKey of ethane;5-methyl-2-propan-2-ylpyridazin-3-one?
The InChIKey is OKLDSVRLRKKDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-6(2)10-8(11)4-7(3)5-9-10;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of ethane;5-methyl-2-propan-2-ylpyridazin-3-one?
ethane;5-methyl-2-propan-2-ylpyridazin-3-one has a molecular weight of 182.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 169135485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).