4-chloro-2,5-dimethylpyridazin-3-one;ethane

C8H13ClN2O — CID 164902787

IUPAC4-chloro-2,5-dimethylpyridazin-3-one;ethane
SMILESCC.Cc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C6H7ClN2O.C2H6/c1-4-3-8-9(2)6(10)5(4)7;1-2/h3H,1-2H3;1-2H3
InChIKeyKIVBCRZMUOOXKR-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.77
Rot. Bonds

About 4-chloro-2,5-dimethylpyridazin-3-one;ethane

4-chloro-2,5-dimethylpyridazin-3-one;ethane (PubChem CID 164902787) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 4-chloro-2,5-dimethylpyridazin-3-one;ethane.

Molecular Properties

Compound Name4-chloro-2,5-dimethylpyridazin-3-one;ethane
PubChem CID164902787
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name4-chloro-2,5-dimethylpyridazin-3-one;ethane
SMILESCC.Cc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C6H7ClN2O.C2H6/c1-4-3-8-9(2)6(10)5(4)7;1-2/h3H,1-2H3;1-2H3
InChIKeyKIVBCRZMUOOXKR-UHFFFAOYSA-N
XLogP1.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2,5-dimethylpyridazin-3-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-
CID 120462
4,5-dichloro-2-ethyl-3(2H)-pyridazinone
CID 676426
3(2H)-Pyridazinone, 4,5-dichloro-2-propyl-
CID 10655922
4-Chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one
CID 139696795
4-Chloro-5-fluoro-2-methylpyridazin-3-one
CID 84075943
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
5-chloro-2-ethyl-4-methyl-3(2H)-pyridazinone
CID 13825165
5-Chloro-2,4-dimethylpyridazin-3-one
CID 19081413
4,5-Dichloro-2,2-dimethylpyridazin-2-ium-3-one
CID 19817593
4-Chloro-2-methyl-5-propan-2-ylpyridazin-3-one
CID 20712566
2-(2-chloro-2-methylpropyl)-4,5-dichloro-3(2H)-pyridazinone
CID 23039512
4,5-dichloro-2-(2-methyl-2-propenyl)-3(2H)-pyridazinone
CID 23039515

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethylpyridazin-3-one;ethane?
The IUPAC name of 4-chloro-2,5-dimethylpyridazin-3-one;ethane (CID 164902787) is 4-chloro-2,5-dimethylpyridazin-3-one;ethane.
What is the SMILES notation for 4-chloro-2,5-dimethylpyridazin-3-one;ethane?
The canonical SMILES for 4-chloro-2,5-dimethylpyridazin-3-one;ethane is CC.Cc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2,5-dimethylpyridazin-3-one;ethane?
The InChIKey is KIVBCRZMUOOXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O.C2H6/c1-4-3-8-9(2)6(10)5(4)7;1-2/h3H,1-2H3;1-2H3.
What are the key properties of 4-chloro-2,5-dimethylpyridazin-3-one;ethane?
4-chloro-2,5-dimethylpyridazin-3-one;ethane has a molecular weight of 188.66 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethylpyridazin-3-one;ethane is sourced from PubChem (CID 164902787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).