4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one

C9H14N2O2 — CID 97115031

IUPAC4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one
SMILESCC[C@@H](C)COc1cn[nH]c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-3-7(2)6-13-8-4-9(12)11-10-5-8/h4-5,7H,3,6H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyMORORIXRCZOOCX-SSDOTTSWSA-N
MW182.22 g/mol
LogP1.19
Rot. Bonds4

About 4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one

4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one (PubChem CID 97115031) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one
PubChem CID97115031
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one
SMILESCC[C@@H](C)COc1cn[nH]c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-3-7(2)6-13-8-4-9(12)11-10-5-8/h4-5,7H,3,6H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyMORORIXRCZOOCX-SSDOTTSWSA-N
XLogP1.19
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one?
The IUPAC name of 4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one (CID 97115031) is 4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one?
The canonical SMILES for 4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one is CC[C@@H](C)COc1cn[nH]c(=O)c1.
What is the InChIKey of 4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one?
The InChIKey is MORORIXRCZOOCX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-7(2)6-13-8-4-9(12)11-10-5-8/h4-5,7H,3,6H2,1-2H3,(H,11,12)/t7-/m1/s1.
What are the key properties of 4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one?
4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one has a molecular weight of 182.22 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methylbutoxy]-1H-pyridazin-6-one is sourced from PubChem (CID 97115031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).