1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

C11H11F3N4O2 — CID 71785193

IUPAC1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CN(C(=O)c2cnccn2)C1
InChIInChI=1S/C11H11F3N4O2/c12-11(13,14)6-17-9(19)7-4-18(5-7)10(20)8-3-15-1-2-16-8/h1-3,7H,4-6H2,(H,17,19)
InChIKeyNXVOSLSBKMHGJZ-UHFFFAOYSA-N
MW288.23 g/mol
LogP0.23
Rot. Bonds3

About 1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (PubChem CID 71785193) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is 1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
PubChem CID71785193
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CN(C(=O)c2cnccn2)C1
InChIInChI=1S/C11H11F3N4O2/c12-11(13,14)6-17-9(19)7-4-18(5-7)10(20)8-3-15-1-2-16-8/h1-3,7H,4-6H2,(H,17,19)
InChIKeyNXVOSLSBKMHGJZ-UHFFFAOYSA-N
XLogP0.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The IUPAC name of 1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (CID 71785193) is 1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is O=C(NCC(F)(F)F)C1CN(C(=O)c2cnccn2)C1.
What is the InChIKey of 1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The InChIKey is NXVOSLSBKMHGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c12-11(13,14)6-17-9(19)7-4-18(5-7)10(20)8-3-15-1-2-16-8/h1-3,7H,4-6H2,(H,17,19).
What are the key properties of 1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide has a molecular weight of 288.23 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrazine-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is sourced from PubChem (CID 71785193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).