3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol

C8H10FN3O — CID 164648113

IUPAC3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol
SMILESOC1CC(Nc2nccnc2F)C1
InChIInChI=1S/C8H10FN3O/c9-7-8(11-2-1-10-7)12-5-3-6(13)4-5/h1-2,5-6,13H,3-4H2,(H,11,12)
InChIKeyPMPNLIDCEIEYLO-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.55
Rot. Bonds2

About 3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol

3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol (PubChem CID 164648113) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol
PubChem CID164648113
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol
SMILESOC1CC(Nc2nccnc2F)C1
InChIInChI=1S/C8H10FN3O/c9-7-8(11-2-1-10-7)12-5-3-6(13)4-5/h1-2,5-6,13H,3-4H2,(H,11,12)
InChIKeyPMPNLIDCEIEYLO-UHFFFAOYSA-N
XLogP0.55
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol?
The IUPAC name of 3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol (CID 164648113) is 3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol is OC1CC(Nc2nccnc2F)C1.
What is the InChIKey of 3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol?
The InChIKey is PMPNLIDCEIEYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c9-7-8(11-2-1-10-7)12-5-3-6(13)4-5/h1-2,5-6,13H,3-4H2,(H,11,12).
What are the key properties of 3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol?
3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol has a molecular weight of 183.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoropyrazin-2-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 164648113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).