N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide

C9H10F3N3O3 — CID 113351102

IUPACN-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide
SMILESO=C(c1c[nH]c(=O)cn1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H10F3N3O3/c10-9(11,12)5-15(1-2-16)8(18)6-3-14-7(17)4-13-6/h3-4,16H,1-2,5H2,(H,14,17)
InChIKeyVAVHUYLCYAOJBO-UHFFFAOYSA-N
MW265.19 g/mol
LogP-0.23
Rot. Bonds4

About N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide

N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide (PubChem CID 113351102) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide
PubChem CID113351102
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC NameN-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide
SMILESO=C(c1c[nH]c(=O)cn1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H10F3N3O3/c10-9(11,12)5-15(1-2-16)8(18)6-3-14-7(17)4-13-6/h3-4,16H,1-2,5H2,(H,14,17)
InChIKeyVAVHUYLCYAOJBO-UHFFFAOYSA-N
XLogP-0.23
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-oxo-1H-pyrazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258463
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
6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazine-3-carboxamide
CID 113249099
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-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 43500503
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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide (CID 113351102) is N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide is O=C(c1c[nH]c(=O)cn1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide?
The InChIKey is VAVHUYLCYAOJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c10-9(11,12)5-15(1-2-16)8(18)6-3-14-7(17)4-13-6/h3-4,16H,1-2,5H2,(H,14,17).
What are the key properties of N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide?
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide has a molecular weight of 265.19 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 113351102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).