3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one

C10H16F2N4O — CID 107494138

IUPAC3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N(CCN)CC(F)F)c1=O
InChIInChI=1S/C10H16F2N4O/c1-2-15-6-4-14-9(10(15)17)16(5-3-13)7-8(11)12/h4,6,8H,2-3,5,7,13H2,1H3
InChIKeyOEVUZJHFFNKMTR-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.29
Rot. Bonds6

About 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one

3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one (PubChem CID 107494138) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one
PubChem CID107494138
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N(CCN)CC(F)F)c1=O
InChIInChI=1S/C10H16F2N4O/c1-2-15-6-4-14-9(10(15)17)16(5-3-13)7-8(11)12/h4,6,8H,2-3,5,7,13H2,1H3
InChIKeyOEVUZJHFFNKMTR-UHFFFAOYSA-N
XLogP0.29
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one (CID 107494138) is 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one is CCn1ccnc(N(CCN)CC(F)F)c1=O.
What is the InChIKey of 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one?
The InChIKey is OEVUZJHFFNKMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c1-2-15-6-4-14-9(10(15)17)16(5-3-13)7-8(11)12/h4,6,8H,2-3,5,7,13H2,1H3.
What are the key properties of 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one?
3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one has a molecular weight of 246.26 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 107494138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).