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

C10H14F2N4O — CID 114384229

IUPAC3-[(3-amino-2,2-difluoropropyl)amino]-1-cyclopropylpyrazin-2-one
SMILESNCC(F)(F)CNc1nccn(C2CC2)c1=O
InChIInChI=1S/C10H14F2N4O/c11-10(12,5-13)6-15-8-9(17)16(4-3-14-8)7-1-2-7/h3-4,7H,1-2,5-6,13H2,(H,14,15)
InChIKeyFHSVZICYIVRXHC-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.58
Rot. Bonds5

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

3-[(3-amino-2,2-difluoropropyl)amino]-1-cyclopropylpyrazin-2-one (PubChem CID 114384229) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 3-[(3-amino-2,2-difluoropropyl)amino]-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3-amino-2,2-difluoropropyl)amino]-1-cyclopropylpyrazin-2-one
PubChem CID114384229
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name3-[(3-amino-2,2-difluoropropyl)amino]-1-cyclopropylpyrazin-2-one
SMILESNCC(F)(F)CNc1nccn(C2CC2)c1=O
InChIInChI=1S/C10H14F2N4O/c11-10(12,5-13)6-15-8-9(17)16(4-3-14-8)7-1-2-7/h3-4,7H,1-2,5-6,13H2,(H,14,15)
InChIKeyFHSVZICYIVRXHC-UHFFFAOYSA-N
XLogP0.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Cyclopropylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015098
1-Tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
CID 55174750
1-Propyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
CID 55174947
1-Propan-2-yl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938252
1-Cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938253
1-Ethyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938254
1-Propyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938255
1-(2-Methylpropyl)-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938432
1-Tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938433
1-Propan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
CID 63226730
1-Cyclopropyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
CID 63226731
1-Methyl-3-(3,3,3-trifluoropropylamino)pyrazin-2-one
CID 63226732

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2,2-difluoropropyl)amino]-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-[(3-amino-2,2-difluoropropyl)amino]-1-cyclopropylpyrazin-2-one (CID 114384229) is 3-[(3-amino-2,2-difluoropropyl)amino]-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-[(3-amino-2,2-difluoropropyl)amino]-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-[(3-amino-2,2-difluoropropyl)amino]-1-cyclopropylpyrazin-2-one is NCC(F)(F)CNc1nccn(C2CC2)c1=O.
What is the InChIKey of 3-[(3-amino-2,2-difluoropropyl)amino]-1-cyclopropylpyrazin-2-one?
The InChIKey is FHSVZICYIVRXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c11-10(12,5-13)6-15-8-9(17)16(4-3-14-8)7-1-2-7/h3-4,7H,1-2,5-6,13H2,(H,14,15).
What are the key properties of 3-[(3-amino-2,2-difluoropropyl)amino]-1-cyclopropylpyrazin-2-one?
3-[(3-amino-2,2-difluoropropyl)amino]-1-cyclopropylpyrazin-2-one has a molecular weight of 244.24 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2,2-difluoropropyl)amino]-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 114384229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).