6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide

C8H8F3N3O3 — CID 113249099

IUPAC6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)5(15)2-14-7(17)4-1-13-6(16)3-12-4/h1,3,5,15H,2H2,(H,13,16)(H,14,17)
InChIKeyYXRVIYIRIPCZTF-UHFFFAOYSA-N
MW251.16 g/mol
LogP-0.58
Rot. Bonds3

About 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide

6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide (PubChem CID 113249099) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide
PubChem CID113249099
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)5(15)2-14-7(17)4-1-13-6(16)3-12-4/h1,3,5,15H,2H2,(H,13,16)(H,14,17)
InChIKeyYXRVIYIRIPCZTF-UHFFFAOYSA-N
XLogP-0.58
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 103770025
N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 104857122
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 107483149
6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide
CID 112527762
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide
CID 113351102
N-(3-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500339
N-(1-hydroxybutan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500413
N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43501009
N-(1-hydroxypropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43501040
N-(2-hydroxypropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43501130
N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-1H-pyrazine-3-carboxamide
CID 43572995
N-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43577018

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide (CID 113249099) is 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide is O=C(NCC(O)C(F)(F)F)c1c[nH]c(=O)cn1.
What is the InChIKey of 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide?
The InChIKey is YXRVIYIRIPCZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c9-8(10,11)5(15)2-14-7(17)4-1-13-6(16)3-12-4/h1,3,5,15H,2H2,(H,13,16)(H,14,17).
What are the key properties of 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide?
6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide has a molecular weight of 251.16 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 113249099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).