5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one

C11H18N2O — CID 155276784

IUPAC5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one
SMILESCC[C@@H](C)c1cc(C(C)C)n[nH]c1=O
InChIInChI=1S/C11H18N2O/c1-5-8(4)9-6-10(7(2)3)12-13-11(9)14/h6-8H,5H2,1-4H3,(H,13,14)/t8-/m1/s1
InChIKeyQKXJDYIUGVBXQQ-MRVPVSSYSA-N
MW194.28 g/mol
LogP2.41
Rot. Bonds3

About 5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one

5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one (PubChem CID 155276784) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one
PubChem CID155276784
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one
SMILESCC[C@@H](C)c1cc(C(C)C)n[nH]c1=O
InChIInChI=1S/C11H18N2O/c1-5-8(4)9-6-10(7(2)3)12-13-11(9)14/h6-8H,5H2,1-4H3,(H,13,14)/t8-/m1/s1
InChIKeyQKXJDYIUGVBXQQ-MRVPVSSYSA-N
XLogP2.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of 5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one (CID 155276784) is 5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one is CC[C@@H](C)c1cc(C(C)C)n[nH]c1=O.
What is the InChIKey of 5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is QKXJDYIUGVBXQQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-8(4)9-6-10(7(2)3)12-13-11(9)14/h6-8H,5H2,1-4H3,(H,13,14)/t8-/m1/s1.
What are the key properties of 5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one?
5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 194.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-butan-2-yl]-3-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 155276784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).