5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine

C13H18F3N3 — CID 11543626

IUPAC5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine
SMILESCC(C)N1CCN(C(C)C)c2c(F)c(F)nc(F)c21
InChIInChI=1S/C13H18F3N3/c1-7(2)18-5-6-19(8(3)4)11-10(18)9(14)12(15)17-13(11)16/h7-8H,5-6H2,1-4H3
InChIKeyYUPBCBAMLNUSIF-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.94
Rot. Bonds2

About 5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine

5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine (PubChem CID 11543626) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine
PubChem CID11543626
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine
SMILESCC(C)N1CCN(C(C)C)c2c(F)c(F)nc(F)c21
InChIInChI=1S/C13H18F3N3/c1-7(2)18-5-6-19(8(3)4)11-10(18)9(14)12(15)17-13(11)16/h7-8H,5-6H2,1-4H3
InChIKeyYUPBCBAMLNUSIF-UHFFFAOYSA-N
XLogP2.94
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine?
The IUPAC name of 5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine (CID 11543626) is 5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine.
What is the SMILES notation for 5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine?
The canonical SMILES for 5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine is CC(C)N1CCN(C(C)C)c2c(F)c(F)nc(F)c21.
What is the InChIKey of 5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine?
The InChIKey is YUPBCBAMLNUSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-7(2)18-5-6-19(8(3)4)11-10(18)9(14)12(15)17-13(11)16/h7-8H,5-6H2,1-4H3.
What are the key properties of 5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine?
5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine has a molecular weight of 273.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trifluoro-1,4-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 11543626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).