2-tert-butylpyridazin-3-one;ethane

C10H18N2O — CID 160588475

IUPAC2-tert-butylpyridazin-3-one;ethane
SMILESCC.CC(C)(C)n1ncccc1=O
InChIInChI=1S/C8H12N2O.C2H6/c1-8(2,3)10-7(11)5-4-6-9-10;1-2/h4-6H,1-3H3;1-2H3
InChIKeyRCRXBJQAJHBQAO-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.02
Rot. Bonds

About 2-tert-butylpyridazin-3-one;ethane

2-tert-butylpyridazin-3-one;ethane (PubChem CID 160588475) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-tert-butylpyridazin-3-one;ethane.

Molecular Properties

Compound Name2-tert-butylpyridazin-3-one;ethane
PubChem CID160588475
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-tert-butylpyridazin-3-one;ethane
SMILESCC.CC(C)(C)n1ncccc1=O
InChIInChI=1S/C8H12N2O.C2H6/c1-8(2,3)10-7(11)5-4-6-9-10;1-2/h4-6H,1-3H3;1-2H3
InChIKeyRCRXBJQAJHBQAO-UHFFFAOYSA-N
XLogP2.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-t-Butyl-2h-pyridazin-3-one
CID 12778309
3(2H)-Pyridazinone, 2-(2-propenyl)-
CID 12237248
2-Butylpyridazin-3-one
CID 12758395
2-tert-Butyl-5-methyl-2,3-dihydropyridazin-3-one
CID 12778310
2-(Propan-2-yl)-2,3-dihydropyridazin-3-one
CID 19915066
2-Ethylpyridazin-3-one
CID 21479093
2-Propylpyridazin-3-one
CID 21479118
2-Tert-butyl-5-sulfanylpyridazin-3-one
CID 22401211
2-(2-Methylpropyl)pyridazin-3-one
CID 23018253
2-(3-Methylbutan-2-yl)pyridazin-3-one
CID 58125063
2-Butan-2-ylpyridazin-3-one
CID 66921964
2-(2-Methylprop-2-enyl)pyridazin-3-one
CID 89140353

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyridazin-3-one;ethane?
The IUPAC name of 2-tert-butylpyridazin-3-one;ethane (CID 160588475) is 2-tert-butylpyridazin-3-one;ethane.
What is the SMILES notation for 2-tert-butylpyridazin-3-one;ethane?
The canonical SMILES for 2-tert-butylpyridazin-3-one;ethane is CC.CC(C)(C)n1ncccc1=O.
What is the InChIKey of 2-tert-butylpyridazin-3-one;ethane?
The InChIKey is RCRXBJQAJHBQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-8(2,3)10-7(11)5-4-6-9-10;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of 2-tert-butylpyridazin-3-one;ethane?
2-tert-butylpyridazin-3-one;ethane has a molecular weight of 182.27 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpyridazin-3-one;ethane is sourced from PubChem (CID 160588475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).