3,5-dichloro-1-propan-2-ylpyrazin-2-one

C7H8Cl2N2O — CID 102534425

IUPAC3,5-dichloro-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1cc(Cl)nc(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O/c1-4(2)11-3-5(8)10-6(9)7(11)12/h3-4H,1-2H3
InChIKeyNVTHHNOQMWSCIM-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.13
Rot. Bonds1

About 3,5-dichloro-1-propan-2-ylpyrazin-2-one

3,5-dichloro-1-propan-2-ylpyrazin-2-one (PubChem CID 102534425) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 3,5-dichloro-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-1-propan-2-ylpyrazin-2-one
PubChem CID102534425
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name3,5-dichloro-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1cc(Cl)nc(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O/c1-4(2)11-3-5(8)10-6(9)7(11)12/h3-4H,1-2H3
InChIKeyNVTHHNOQMWSCIM-UHFFFAOYSA-N
XLogP2.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3,5-dichloro-1-propan-2-ylpyrazin-2-one (CID 102534425) is 3,5-dichloro-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3,5-dichloro-1-propan-2-ylpyrazin-2-one is CC(C)n1cc(Cl)nc(Cl)c1=O.
What is the InChIKey of 3,5-dichloro-1-propan-2-ylpyrazin-2-one?
The InChIKey is NVTHHNOQMWSCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-4(2)11-3-5(8)10-6(9)7(11)12/h3-4H,1-2H3.
What are the key properties of 3,5-dichloro-1-propan-2-ylpyrazin-2-one?
3,5-dichloro-1-propan-2-ylpyrazin-2-one has a molecular weight of 207.06 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 102534425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).