2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol

C14H16FN3O — CID 90272720

IUPAC2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1cncc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O/c1-2-12(9-19)17-14-8-16-7-13(18-14)10-3-5-11(15)6-4-10/h3-8,12,19H,2,9H2,1H3,(H,17,18)
InChIKeyODMZMHXXPHIBJL-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.47
Rot. Bonds5

About 2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol

2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol (PubChem CID 90272720) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol
PubChem CID90272720
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1cncc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O/c1-2-12(9-19)17-14-8-16-7-13(18-14)10-3-5-11(15)6-4-10/h3-8,12,19H,2,9H2,1H3,(H,17,18)
InChIKeyODMZMHXXPHIBJL-UHFFFAOYSA-N
XLogP2.47
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol?
The IUPAC name of 2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol (CID 90272720) is 2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol is CCC(CO)Nc1cncc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol?
The InChIKey is ODMZMHXXPHIBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-12(9-19)17-14-8-16-7-13(18-14)10-3-5-11(15)6-4-10/h3-8,12,19H,2,9H2,1H3,(H,17,18).
What are the key properties of 2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol?
2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol has a molecular weight of 261.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-fluorophenyl)pyrazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 90272720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).