5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine

C18H16FN5O — CID 90310692

IUPAC5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine
SMILESNc1cnc(-c2ccc(C3CCC3)c(Oc3ccnnc3)c2F)cn1
InChIInChI=1S/C18H16FN5O/c19-17-14(15-9-22-16(20)10-21-15)5-4-13(11-2-1-3-11)18(17)25-12-6-7-23-24-8-12/h4-11H,1-3H2,(H2,20,22)
InChIKeyFCHPSNAPZOMUNW-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.71
Rot. Bonds4

About 5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine

5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine (PubChem CID 90310692) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine
PubChem CID90310692
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine
SMILESNc1cnc(-c2ccc(C3CCC3)c(Oc3ccnnc3)c2F)cn1
InChIInChI=1S/C18H16FN5O/c19-17-14(15-9-22-16(20)10-21-15)5-4-13(11-2-1-3-11)18(17)25-12-6-7-23-24-8-12/h4-11H,1-3H2,(H2,20,22)
InChIKeyFCHPSNAPZOMUNW-UHFFFAOYSA-N
XLogP3.71
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine?
The IUPAC name of 5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine (CID 90310692) is 5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine?
The canonical SMILES for 5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine is Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnnc3)c2F)cn1.
What is the InChIKey of 5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine?
The InChIKey is FCHPSNAPZOMUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c19-17-14(15-9-22-16(20)10-21-15)5-4-13(11-2-1-3-11)18(17)25-12-6-7-23-24-8-12/h4-11H,1-3H2,(H2,20,22).
What are the key properties of 5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine?
5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine has a molecular weight of 337.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclobutyl-2-fluoro-3-pyridazin-4-yloxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 90310692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).