1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one

C10H11F4N3O — CID 114169567

IUPAC1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one
SMILESO=c1c(NCC(F)(F)C(F)F)nccn1C1CC1
InChIInChI=1S/C10H11F4N3O/c11-9(12)10(13,14)5-16-7-8(18)17(4-3-15-7)6-1-2-6/h3-4,6,9H,1-2,5H2,(H,15,16)
InChIKeyBVPSEWLEUJZEQR-UHFFFAOYSA-N
MW265.21 g/mol
LogP1.89
Rot. Bonds5

About 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one

1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one (PubChem CID 114169567) has the molecular formula C10H11F4N3O and a molecular weight of 265.21 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one
PubChem CID114169567
Molecular FormulaC10H11F4N3O
Molecular Weight265.21 g/mol
Exact Mass265.08
IUPAC Name1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one
SMILESO=c1c(NCC(F)(F)C(F)F)nccn1C1CC1
InChIInChI=1S/C10H11F4N3O/c11-9(12)10(13,14)5-16-7-8(18)17(4-3-15-7)6-1-2-6/h3-4,6,9H,1-2,5H2,(H,15,16)
InChIKeyBVPSEWLEUJZEQR-UHFFFAOYSA-N
XLogP1.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-cyclopropyl-3-(propylamino)pyrazin-2-one
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3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one
CID 106845044
2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
CID 65226552
1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one
CID 126769157
1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one
CID 115326088
1-cyclopropyl-3-(cyclopropylamino)pyrazin-2-one
CID 62939651
1-cyclopropyl-3-(2-ethoxypropylamino)pyrazin-2-one
CID 113353757
1-cyclopropyl-3-[2-(1-methylpiperidin-4-yl)ethylamino]pyrazin-2-one
CID 115917330

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one (CID 114169567) is 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one is O=c1c(NCC(F)(F)C(F)F)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one?
The InChIKey is BVPSEWLEUJZEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N3O/c11-9(12)10(13,14)5-16-7-8(18)17(4-3-15-7)6-1-2-6/h3-4,6,9H,1-2,5H2,(H,15,16).
What are the key properties of 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one?
1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one has a molecular weight of 265.21 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,2,3,3-tetrafluoropropylamino)pyrazin-2-one is sourced from PubChem (CID 114169567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).