4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate

C10H15BClF4N3O — CID 15468316

IUPAC4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate
SMILESCC[n+]1ccnc(Cl)c1N1CCOCC1.F[B-](F)(F)F
InChIInChI=1S/C10H15ClN3O.BF4/c1-2-13-4-3-12-9(11)10(13)14-5-7-15-8-6-14;2-1(3,4)5/h3-4H,2,5-8H2,1H3;/q+1;-1
InChIKeyUUQCAESLKHUXDD-UHFFFAOYSA-N
MW315.51 g/mol
LogP2.18
Rot. Bonds2

About 4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate

4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate (PubChem CID 15468316) has the molecular formula C10H15BClF4N3O and a molecular weight of 315.51 g/mol. Its IUPAC name is 4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate.

Molecular Properties

Compound Name4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate
PubChem CID15468316
Molecular FormulaC10H15BClF4N3O
Molecular Weight315.51 g/mol
Exact Mass315.09
IUPAC Name4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate
SMILESCC[n+]1ccnc(Cl)c1N1CCOCC1.F[B-](F)(F)F
InChIInChI=1S/C10H15ClN3O.BF4/c1-2-13-4-3-12-9(11)10(13)14-5-7-15-8-6-14;2-1(3,4)5/h3-4H,2,5-8H2,1H3;/q+1;-1
InChIKeyUUQCAESLKHUXDD-UHFFFAOYSA-N
XLogP2.18
TPSA29.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate?
The IUPAC name of 4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate (CID 15468316) is 4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate.
What is the SMILES notation for 4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate?
The canonical SMILES for 4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate is CC[n+]1ccnc(Cl)c1N1CCOCC1.F[B-](F)(F)F.
What is the InChIKey of 4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate?
The InChIKey is UUQCAESLKHUXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN3O.BF4/c1-2-13-4-3-12-9(11)10(13)14-5-7-15-8-6-14;2-1(3,4)5/h3-4H,2,5-8H2,1H3;/q+1;-1.
What are the key properties of 4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate?
4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate has a molecular weight of 315.51 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-1-ethylpyrazin-1-ium-2-yl)morpholine tetrafluoroborate is sourced from PubChem (CID 15468316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).