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

C11H16F2N4O — CID 107493959

IUPAC3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-cyclopropylpyrazin-2-one
SMILESNCCN(CC(F)F)c1nccn(C2CC2)c1=O
InChIInChI=1S/C11H16F2N4O/c12-9(13)7-16(5-3-14)10-11(18)17(6-4-15-10)8-1-2-8/h4,6,8-9H,1-3,5,7,14H2
InChIKeyDJXDQVHQOVDMRF-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.61
Rot. Bonds6

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

3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-cyclopropylpyrazin-2-one (PubChem CID 107493959) has the molecular formula C11H16F2N4O and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-cyclopropylpyrazin-2-one
PubChem CID107493959
Molecular FormulaC11H16F2N4O
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC Name3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-cyclopropylpyrazin-2-one
SMILESNCCN(CC(F)F)c1nccn(C2CC2)c1=O
InChIInChI=1S/C11H16F2N4O/c12-9(13)7-16(5-3-14)10-11(18)17(6-4-15-10)8-1-2-8/h4,6,8-9H,1-3,5,7,14H2
InChIKeyDJXDQVHQOVDMRF-UHFFFAOYSA-N
XLogP0.61
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.61
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-cyclopropylpyrazin-2-one?
The IUPAC name of 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-cyclopropylpyrazin-2-one (CID 107493959) is 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-cyclopropylpyrazin-2-one is NCCN(CC(F)F)c1nccn(C2CC2)c1=O.
What is the InChIKey of 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-cyclopropylpyrazin-2-one?
The InChIKey is DJXDQVHQOVDMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O/c12-9(13)7-16(5-3-14)10-11(18)17(6-4-15-10)8-1-2-8/h4,6,8-9H,1-3,5,7,14H2.
What are the key properties of 3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-cyclopropylpyrazin-2-one?
3-[2-aminoethyl(2,2-difluoroethyl)amino]-1-cyclopropylpyrazin-2-one has a molecular weight of 258.27 g/mol, XLogP of 0.61, 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-cyclopropylpyrazin-2-one is sourced from PubChem (CID 107493959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).