1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H24F3N5O2 — CID 166616731

IUPAC1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(CCC(F)(F)F)C(=O)C12CCN(c1cnccn1)CC2
InChIInChI=1S/C18H24F3N5O2/c1-13(2)12-26-16(28)25(10-5-18(19,20)21)15(27)17(26)3-8-24(9-4-17)14-11-22-6-7-23-14/h6-7,11,13H,3-5,8-10,12H2,1-2H3
InChIKeyPSLOCOHKPQUFIY-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.69
Rot. Bonds5

About 1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166616731) has the molecular formula C18H24F3N5O2 and a molecular weight of 399.42 g/mol. Its IUPAC name is 1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166616731
Molecular FormulaC18H24F3N5O2
Molecular Weight399.42 g/mol
Exact Mass399.19
IUPAC Name1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(CCC(F)(F)F)C(=O)C12CCN(c1cnccn1)CC2
InChIInChI=1S/C18H24F3N5O2/c1-13(2)12-26-16(28)25(10-5-18(19,20)21)15(27)17(26)3-8-24(9-4-17)14-11-22-6-7-23-14/h6-7,11,13H,3-5,8-10,12H2,1-2H3
InChIKeyPSLOCOHKPQUFIY-UHFFFAOYSA-N
XLogP2.69
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166616731) is 1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CN1C(=O)N(CCC(F)(F)F)C(=O)C12CCN(c1cnccn1)CC2.
What is the InChIKey of 1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PSLOCOHKPQUFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O2/c1-13(2)12-26-16(28)25(10-5-18(19,20)21)15(27)17(26)3-8-24(9-4-17)14-11-22-6-7-23-14/h6-7,11,13H,3-5,8-10,12H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 399.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-8-pyrazin-2-yl-3-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166616731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).