4-butan-2-yl-2-cyclopropylpyridazin-3-one

C11H16N2O — CID 170175484

IUPAC4-butan-2-yl-2-cyclopropylpyridazin-3-one
SMILESCCC(C)c1ccnn(C2CC2)c1=O
InChIInChI=1S/C11H16N2O/c1-3-8(2)10-6-7-12-13(11(10)14)9-4-5-9/h6-9H,3-5H2,1-2H3
InChIKeyUWKNRPNXFCBOOC-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.09
Rot. Bonds3

About 4-butan-2-yl-2-cyclopropylpyridazin-3-one

4-butan-2-yl-2-cyclopropylpyridazin-3-one (PubChem CID 170175484) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-butan-2-yl-2-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name4-butan-2-yl-2-cyclopropylpyridazin-3-one
PubChem CID170175484
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-butan-2-yl-2-cyclopropylpyridazin-3-one
SMILESCCC(C)c1ccnn(C2CC2)c1=O
InChIInChI=1S/C11H16N2O/c1-3-8(2)10-6-7-12-13(11(10)14)9-4-5-9/h6-9H,3-5H2,1-2H3
InChIKeyUWKNRPNXFCBOOC-UHFFFAOYSA-N
XLogP2.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2,4-di(propan-2-yl)pyridazin-3-one
CID 15054347
2,4-Di(propan-2-yl)pyridazin-3-one
CID 60102693
4-(2,2-Dimethylpropyl)-2-methylpyridazin-3-one
CID 89562066
4-Ethyl-2-propan-2-ylpyridazin-3-one
CID 89887657
2-(4-Methylpentan-2-yl)-4-propan-2-ylpyridazin-3-one
CID 90726448
2,6-Diethyl-4-propylpyridazin-3-one;ethane
CID 90789858
2-(2,4-Dimethylpentan-2-yl)-4-propan-2-ylpyridazin-3-one
CID 91213418
2-Ethyl-4-propan-2-ylpyridazin-3-one
CID 117860200
4-Tert-butyl-2-propan-2-ylpyridazin-3-one
CID 132238921
2-Cyclopropyl-4-piperidin-4-ylpyridazin-3-one
CID 141144887
2,4-Bis(3-methylbutyl)pyridazin-3-one
CID 141150690
2-(3-Methylbutyl)-4-propylpyridazin-3-one
CID 141150691

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-cyclopropylpyridazin-3-one?
The IUPAC name of 4-butan-2-yl-2-cyclopropylpyridazin-3-one (CID 170175484) is 4-butan-2-yl-2-cyclopropylpyridazin-3-one.
What is the SMILES notation for 4-butan-2-yl-2-cyclopropylpyridazin-3-one?
The canonical SMILES for 4-butan-2-yl-2-cyclopropylpyridazin-3-one is CCC(C)c1ccnn(C2CC2)c1=O.
What is the InChIKey of 4-butan-2-yl-2-cyclopropylpyridazin-3-one?
The InChIKey is UWKNRPNXFCBOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-8(2)10-6-7-12-13(11(10)14)9-4-5-9/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-butan-2-yl-2-cyclopropylpyridazin-3-one?
4-butan-2-yl-2-cyclopropylpyridazin-3-one has a molecular weight of 192.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-cyclopropylpyridazin-3-one is sourced from PubChem (CID 170175484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).