4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane

C12H20N2O — CID 170978323

IUPAC4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane
SMILESCC.CCc1cnn(C)c(=O)c1C1CC1
InChIInChI=1S/C10H14N2O.C2H6/c1-3-7-6-11-12(2)10(13)9(7)8-4-5-8;1-2/h6,8H,3-5H2,1-2H3;1-2H3
InChIKeyVMBUTQNYFUXGGE-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.25
Rot. Bonds2

About 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane

4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane (PubChem CID 170978323) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane.

Molecular Properties

Compound Name4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane
PubChem CID170978323
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane
SMILESCC.CCc1cnn(C)c(=O)c1C1CC1
InChIInChI=1S/C10H14N2O.C2H6/c1-3-7-6-11-12(2)10(13)9(7)8-4-5-8;1-2/h6,8H,3-5H2,1-2H3;1-2H3
InChIKeyVMBUTQNYFUXGGE-UHFFFAOYSA-N
XLogP2.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6,7-Trimethyl-5,8-dihydrophthalazin-1-one
CID 11030602
4,5-Ditert-butyl-2-methylpyridazin-3-one
CID 20872054
4-Tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one
CID 23600272
2-(3-Methylbutyl)-4-propylpyridazin-3-one
CID 141150691
2-Ethyl-4,5-di(propan-2-yl)pyridazin-3-one
CID 169563100
2,5-Dimethyl-4-propan-2-ylpyridazin-3-one
CID 170587437
4-Ethyl-2-methyl-5-propan-2-ylpyridazin-3-one
CID 170600352
5-Butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one
CID 170979259
2,4-Dimethyl-5-propan-2-ylpyridazin-3-one
CID 170979290
2-Methyl-4,5-di(propan-2-yl)pyridazin-3-one
CID 171734882
4-Cyclopropyl-5-ethyl-2-methylpyridazin-3-one
CID 170978324

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane?
The IUPAC name of 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane (CID 170978323) is 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane.
What is the SMILES notation for 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane?
The canonical SMILES for 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane is CC.CCc1cnn(C)c(=O)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane?
The InChIKey is VMBUTQNYFUXGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.C2H6/c1-3-7-6-11-12(2)10(13)9(7)8-4-5-8;1-2/h6,8H,3-5H2,1-2H3;1-2H3.
What are the key properties of 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane?
4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane has a molecular weight of 208.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane is sourced from PubChem (CID 170978323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).