5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one

C12H18N2O — CID 170979259

IUPAC5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one
SMILESCCC(C)c1cnn(C)c(=O)c1C1CC1
InChIInChI=1S/C12H18N2O/c1-4-8(2)10-7-13-14(3)12(15)11(10)9-5-6-9/h7-9H,4-6H2,1-3H3
InChIKeyFIDDLIRXPKRNEG-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.17
Rot. Bonds3

About 5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one

5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one (PubChem CID 170979259) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one
PubChem CID170979259
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one
SMILESCCC(C)c1cnn(C)c(=O)c1C1CC1
InChIInChI=1S/C12H18N2O/c1-4-8(2)10-7-13-14(3)12(15)11(10)9-5-6-9/h7-9H,4-6H2,1-3H3
InChIKeyFIDDLIRXPKRNEG-UHFFFAOYSA-N
XLogP2.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.17
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-Tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one
CID 23600272
2-Ethyl-4,5-di(propan-2-yl)pyridazin-3-one
CID 169563100
4-Butan-2-yl-2-cyclopropylpyridazin-3-one
CID 170175484
2,5-Dimethyl-4-propan-2-ylpyridazin-3-one
CID 170587437
4-Ethyl-2-methyl-5-propan-2-ylpyridazin-3-one
CID 170600352
4-Cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane
CID 170978323
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 5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one?
The IUPAC name of 5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one (CID 170979259) is 5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one.
What is the SMILES notation for 5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one?
The canonical SMILES for 5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one is CCC(C)c1cnn(C)c(=O)c1C1CC1.
What is the InChIKey of 5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one?
The InChIKey is FIDDLIRXPKRNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-8(2)10-7-13-14(3)12(15)11(10)9-5-6-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one?
5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one has a molecular weight of 206.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one is sourced from PubChem (CID 170979259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).