3,5-dichloro-1-propylpyrazin-2-one

C7H8Cl2N2O — CID 97180451

IUPAC3,5-dichloro-1-propylpyrazin-2-one
SMILESCCCn1cc(Cl)nc(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O/c1-2-3-11-4-5(8)10-6(9)7(11)12/h4H,2-3H2,1H3
InChIKeyHRAFLPIJOCDPTI-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.96
Rot. Bonds2

About 3,5-dichloro-1-propylpyrazin-2-one

3,5-dichloro-1-propylpyrazin-2-one (PubChem CID 97180451) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 3,5-dichloro-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-1-propylpyrazin-2-one
PubChem CID97180451
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name3,5-dichloro-1-propylpyrazin-2-one
SMILESCCCn1cc(Cl)nc(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O/c1-2-3-11-4-5(8)10-6(9)7(11)12/h4H,2-3H2,1H3
InChIKeyHRAFLPIJOCDPTI-UHFFFAOYSA-N
XLogP1.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.96
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-propylpyrazin-2-one?
The IUPAC name of 3,5-dichloro-1-propylpyrazin-2-one (CID 97180451) is 3,5-dichloro-1-propylpyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-1-propylpyrazin-2-one?
The canonical SMILES for 3,5-dichloro-1-propylpyrazin-2-one is CCCn1cc(Cl)nc(Cl)c1=O.
What is the InChIKey of 3,5-dichloro-1-propylpyrazin-2-one?
The InChIKey is HRAFLPIJOCDPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-2-3-11-4-5(8)10-6(9)7(11)12/h4H,2-3H2,1H3.
What are the key properties of 3,5-dichloro-1-propylpyrazin-2-one?
3,5-dichloro-1-propylpyrazin-2-one has a molecular weight of 207.06 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-propylpyrazin-2-one is sourced from PubChem (CID 97180451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).