3-pentan-3-yloxy-1H-pyrazin-2-one

C9H14N2O2 — CID 154291459

IUPAC3-pentan-3-yloxy-1H-pyrazin-2-one
SMILESCCC(CC)Oc1ncc[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-3-7(4-2)13-9-8(12)10-5-6-11-9/h5-7H,3-4H2,1-2H3,(H,10,12)
InChIKeyPHBYOHHUWLVXOO-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.34
Rot. Bonds4

About 3-pentan-3-yloxy-1H-pyrazin-2-one

3-pentan-3-yloxy-1H-pyrazin-2-one (PubChem CID 154291459) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-pentan-3-yloxy-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-pentan-3-yloxy-1H-pyrazin-2-one
PubChem CID154291459
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-pentan-3-yloxy-1H-pyrazin-2-one
SMILESCCC(CC)Oc1ncc[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-3-7(4-2)13-9-8(12)10-5-6-11-9/h5-7H,3-4H2,1-2H3,(H,10,12)
InChIKeyPHBYOHHUWLVXOO-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yloxy-1H-pyrazin-2-one?
The IUPAC name of 3-pentan-3-yloxy-1H-pyrazin-2-one (CID 154291459) is 3-pentan-3-yloxy-1H-pyrazin-2-one.
What is the SMILES notation for 3-pentan-3-yloxy-1H-pyrazin-2-one?
The canonical SMILES for 3-pentan-3-yloxy-1H-pyrazin-2-one is CCC(CC)Oc1ncc[nH]c1=O.
What is the InChIKey of 3-pentan-3-yloxy-1H-pyrazin-2-one?
The InChIKey is PHBYOHHUWLVXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-7(4-2)13-9-8(12)10-5-6-11-9/h5-7H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 3-pentan-3-yloxy-1H-pyrazin-2-one?
3-pentan-3-yloxy-1H-pyrazin-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yloxy-1H-pyrazin-2-one is sourced from PubChem (CID 154291459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).