3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one

C7H9F2N3O2 — CID 104858523

IUPAC3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCC(F)(F)CO
InChIInChI=1S/C7H9F2N3O2/c8-7(9,4-13)3-12-5-6(14)11-2-1-10-5/h1-2,13H,3-4H2,(H,10,12)(H,11,14)
InChIKeyUAWSGWYLGYYSNI-UHFFFAOYSA-N
MW205.16 g/mol
LogP-0.19
Rot. Bonds4

About 3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one

3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one (PubChem CID 104858523) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one
PubChem CID104858523
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCC(F)(F)CO
InChIInChI=1S/C7H9F2N3O2/c8-7(9,4-13)3-12-5-6(14)11-2-1-10-5/h1-2,13H,3-4H2,(H,10,12)(H,11,14)
InChIKeyUAWSGWYLGYYSNI-UHFFFAOYSA-N
XLogP-0.19
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one (CID 104858523) is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one is O=c1[nH]ccnc1NCC(F)(F)CO.
What is the InChIKey of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one?
The InChIKey is UAWSGWYLGYYSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c8-7(9,4-13)3-12-5-6(14)11-2-1-10-5/h1-2,13H,3-4H2,(H,10,12)(H,11,14).
What are the key properties of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one?
3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one has a molecular weight of 205.16 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 104858523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).