3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one

C9H13F2N3O2 — CID 107484278

IUPAC3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one
SMILESCn1ccnc(N(CCO)CC(F)F)c1=O
InChIInChI=1S/C9H13F2N3O2/c1-13-3-2-12-8(9(13)16)14(4-5-15)6-7(10)11/h2-3,7,15H,4-6H2,1H3
InChIKeyVSCVBMUDCNOKBJ-UHFFFAOYSA-N
MW233.22 g/mol
LogP-0.16
Rot. Bonds5

About 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one (PubChem CID 107484278) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one
PubChem CID107484278
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one
SMILESCn1ccnc(N(CCO)CC(F)F)c1=O
InChIInChI=1S/C9H13F2N3O2/c1-13-3-2-12-8(9(13)16)14(4-5-15)6-7(10)11/h2-3,7,15H,4-6H2,1H3
InChIKeyVSCVBMUDCNOKBJ-UHFFFAOYSA-N
XLogP-0.16
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one
CID 62940803
3-[2-chloroethyl(2,2-difluoroethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 107490116
N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide
CID 76981244
3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one
CID 62929908
2-[2,2-difluoroethyl-[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107484642
3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one
CID 62929380
3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one
CID 63766845
3-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]-1-methylpyrazin-2-one
CID 136519461
3-[2-chloroethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrazin-2-one
CID 107490714
2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
CID 62940589
methyl 2-methyl-3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62940103
3-[butyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 62928158

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one (CID 107484278) is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one is Cn1ccnc(N(CCO)CC(F)F)c1=O.
What is the InChIKey of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one?
The InChIKey is VSCVBMUDCNOKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c1-13-3-2-12-8(9(13)16)14(4-5-15)6-7(10)11/h2-3,7,15H,4-6H2,1H3.
What are the key properties of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one?
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one has a molecular weight of 233.22 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 107484278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).