3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one

C10H12Br2N2O — CID 58337889

IUPAC3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one
SMILESCC[C@H](C1CC1)n1cc(Br)nc(Br)c1=O
InChIInChI=1S/C10H12Br2N2O/c1-2-7(6-3-4-6)14-5-8(11)13-9(12)10(14)15/h5-7H,2-4H2,1H3/t7-/m1/s1
InChIKeyVWHWUCYKEVICTJ-SSDOTTSWSA-N
MW336.03 g/mol
LogP3.13
Rot. Bonds3

About 3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one

3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one (PubChem CID 58337889) has the molecular formula C10H12Br2N2O and a molecular weight of 336.03 g/mol. Its IUPAC name is 3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one.

Molecular Properties

Compound Name3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one
PubChem CID58337889
Molecular FormulaC10H12Br2N2O
Molecular Weight336.03 g/mol
Exact Mass333.93
IUPAC Name3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one
SMILESCC[C@H](C1CC1)n1cc(Br)nc(Br)c1=O
InChIInChI=1S/C10H12Br2N2O/c1-2-7(6-3-4-6)14-5-8(11)13-9(12)10(14)15/h5-7H,2-4H2,1H3/t7-/m1/s1
InChIKeyVWHWUCYKEVICTJ-SSDOTTSWSA-N
XLogP3.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one?
The IUPAC name of 3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one (CID 58337889) is 3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one.
What is the SMILES notation for 3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one?
The canonical SMILES for 3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one is CC[C@H](C1CC1)n1cc(Br)nc(Br)c1=O.
What is the InChIKey of 3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one?
The InChIKey is VWHWUCYKEVICTJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12Br2N2O/c1-2-7(6-3-4-6)14-5-8(11)13-9(12)10(14)15/h5-7H,2-4H2,1H3/t7-/m1/s1.
What are the key properties of 3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one?
3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one has a molecular weight of 336.03 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one is sourced from PubChem (CID 58337889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).