2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one

C10H14Cl2N2O2 — CID 143934538

IUPAC2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one
SMILESCOC[C@H](C1CC1)N1CC(Cl)N=C(Cl)C1=O
InChIInChI=1S/C10H14Cl2N2O2/c1-16-5-7(6-2-3-6)14-4-8(11)13-9(12)10(14)15/h6-8H,2-5H2,1H3/t7-,8?/m1/s1
InChIKeyZXKJDCFSHHQRSN-GVHYBUMESA-N
MW265.14 g/mol
LogP1.46
Rot. Bonds4

About 2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one

2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one (PubChem CID 143934538) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one.

Molecular Properties

Compound Name2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one
PubChem CID143934538
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one
SMILESCOC[C@H](C1CC1)N1CC(Cl)N=C(Cl)C1=O
InChIInChI=1S/C10H14Cl2N2O2/c1-16-5-7(6-2-3-6)14-4-8(11)13-9(12)10(14)15/h6-8H,2-5H2,1H3/t7-,8?/m1/s1
InChIKeyZXKJDCFSHHQRSN-GVHYBUMESA-N
XLogP1.46
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one?
The IUPAC name of 2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one (CID 143934538) is 2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one.
What is the SMILES notation for 2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one?
The canonical SMILES for 2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one is COC[C@H](C1CC1)N1CC(Cl)N=C(Cl)C1=O.
What is the InChIKey of 2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one?
The InChIKey is ZXKJDCFSHHQRSN-GVHYBUMESA-N. The full InChI is InChI=1S/C10H14Cl2N2O2/c1-16-5-7(6-2-3-6)14-4-8(11)13-9(12)10(14)15/h6-8H,2-5H2,1H3/t7-,8?/m1/s1.
What are the key properties of 2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one?
2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one has a molecular weight of 265.14 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3-dihydropyrazin-5-one is sourced from PubChem (CID 143934538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).