1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one

C15H14F3N3O2 — CID 126769157

IUPAC1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one
SMILESO=c1c(NCc2ccc(OC(F)(F)F)cc2)nccn1C1CC1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)23-12-5-1-10(2-6-12)9-20-13-14(22)21(8-7-19-13)11-3-4-11/h1-2,5-8,11H,3-4,9H2,(H,19,20)
InChIKeyDEGAHOHSRHVRAR-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.09
Rot. Bonds5

About 1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one

1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one (PubChem CID 126769157) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one
PubChem CID126769157
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one
SMILESO=c1c(NCc2ccc(OC(F)(F)F)cc2)nccn1C1CC1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)23-12-5-1-10(2-6-12)9-20-13-14(22)21(8-7-19-13)11-3-4-11/h1-2,5-8,11H,3-4,9H2,(H,19,20)
InChIKeyDEGAHOHSRHVRAR-UHFFFAOYSA-N
XLogP3.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one (CID 126769157) is 1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one is O=c1c(NCc2ccc(OC(F)(F)F)cc2)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one?
The InChIKey is DEGAHOHSRHVRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)23-12-5-1-10(2-6-12)9-20-13-14(22)21(8-7-19-13)11-3-4-11/h1-2,5-8,11H,3-4,9H2,(H,19,20).
What are the key properties of 1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one?
1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one has a molecular weight of 325.29 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one is sourced from PubChem (CID 126769157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).