ethane;2,4,5-trimethylpyridazin-3-one

C9H16N2O — CID 143899619

IUPACethane;2,4,5-trimethylpyridazin-3-one
SMILESCC.Cc1cnn(C)c(=O)c1C
InChIInChI=1S/C7H10N2O.C2H6/c1-5-4-8-9(3)7(10)6(5)2;1-2/h4H,1-3H3;1-2H3
InChIKeyFMTVRMGEPZHUGB-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.42
Rot. Bonds

About ethane;2,4,5-trimethylpyridazin-3-one

ethane;2,4,5-trimethylpyridazin-3-one (PubChem CID 143899619) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is ethane;2,4,5-trimethylpyridazin-3-one.

Molecular Properties

Compound Nameethane;2,4,5-trimethylpyridazin-3-one
PubChem CID143899619
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameethane;2,4,5-trimethylpyridazin-3-one
SMILESCC.Cc1cnn(C)c(=O)c1C
InChIInChI=1S/C7H10N2O.C2H6/c1-5-4-8-9(3)7(10)6(5)2;1-2/h4H,1-3H3;1-2H3
InChIKeyFMTVRMGEPZHUGB-UHFFFAOYSA-N
XLogP1.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-2,3-dihydropyridazin-3-one
CID 12200173
2,4-Dimethyl-5-(trifluoromethyl)pyridazin-3-one
CID 22968956
2,4-Dimethyl-5-(trifluoromethyl)pyridazin-3-one;ethane
CID 142521690
5-Fluoro-2,4-dimethylpyridazin-3-one
CID 149220971
2,5-Dimethyl-4-(trifluoromethyl)pyridazin-3-one
CID 169818330
2-Ethyl-4-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 162611345
5-chloro-2-ethyl-4-methyl-3(2H)-pyridazinone
CID 13825165
5-Chloro-2,4-dimethylpyridazin-3-one
CID 19081413
2,4,5-Trimethylpyridazin-3-one
CID 20669839
2,4-Dimethylpyridazin-3(2H)-one
CID 20772174
4,5-Dimethyl-2-(2-oxopropyl)pyridazin-3-one
CID 22966720
4,5-Dimethyl-2-propan-2-ylpyridazin-3-one
CID 58336857

Frequently Asked Questions

What is the IUPAC name of ethane;2,4,5-trimethylpyridazin-3-one?
The IUPAC name of ethane;2,4,5-trimethylpyridazin-3-one (CID 143899619) is ethane;2,4,5-trimethylpyridazin-3-one.
What is the SMILES notation for ethane;2,4,5-trimethylpyridazin-3-one?
The canonical SMILES for ethane;2,4,5-trimethylpyridazin-3-one is CC.Cc1cnn(C)c(=O)c1C.
What is the InChIKey of ethane;2,4,5-trimethylpyridazin-3-one?
The InChIKey is FMTVRMGEPZHUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C2H6/c1-5-4-8-9(3)7(10)6(5)2;1-2/h4H,1-3H3;1-2H3.
What are the key properties of ethane;2,4,5-trimethylpyridazin-3-one?
ethane;2,4,5-trimethylpyridazin-3-one has a molecular weight of 168.24 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,5-trimethylpyridazin-3-one is sourced from PubChem (CID 143899619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).