4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol

C16H20FN3O — CID 126666082

IUPAC4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol
SMILESNc1cc(C(CCC2CC2)N2C=CNC=C2O)ccc1F
InChIInChI=1S/C16H20FN3O/c17-13-5-4-12(9-14(13)18)15(6-3-11-1-2-11)20-8-7-19-10-16(20)21/h4-5,7-11,15,19,21H,1-3,6,18H2
InChIKeyREYUNWFFKONRIM-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.37
Rot. Bonds5

About 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol

4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol (PubChem CID 126666082) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol.

Molecular Properties

Compound Name4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol
PubChem CID126666082
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol
SMILESNc1cc(C(CCC2CC2)N2C=CNC=C2O)ccc1F
InChIInChI=1S/C16H20FN3O/c17-13-5-4-12(9-14(13)18)15(6-3-11-1-2-11)20-8-7-19-10-16(20)21/h4-5,7-11,15,19,21H,1-3,6,18H2
InChIKeyREYUNWFFKONRIM-UHFFFAOYSA-N
XLogP3.37
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol?
The IUPAC name of 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol (CID 126666082) is 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol.
What is the SMILES notation for 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol?
The canonical SMILES for 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol is Nc1cc(C(CCC2CC2)N2C=CNC=C2O)ccc1F.
What is the InChIKey of 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol?
The InChIKey is REYUNWFFKONRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-13-5-4-12(9-14(13)18)15(6-3-11-1-2-11)20-8-7-19-10-16(20)21/h4-5,7-11,15,19,21H,1-3,6,18H2.
What are the key properties of 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol?
4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol has a molecular weight of 289.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol is sourced from PubChem (CID 126666082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).