[4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine

C13H15FN6O — CID 80910078

IUPAC[4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(Oc2cccc(F)c2)nc(N2CCCC2)n1
InChIInChI=1S/C13H15FN6O/c14-9-4-3-5-10(8-9)21-13-17-11(19-15)16-12(18-13)20-6-1-2-7-20/h3-5,8H,1-2,6-7,15H2,(H,16,17,18,19)
InChIKeyKWRZULIIFWLLRN-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.69
Rot. Bonds4

About [4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine

[4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80910078) has the molecular formula C13H15FN6O and a molecular weight of 290.30 g/mol. Its IUPAC name is [4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
PubChem CID80910078
Molecular FormulaC13H15FN6O
Molecular Weight290.30 g/mol
Exact Mass290.13
IUPAC Name[4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(Oc2cccc(F)c2)nc(N2CCCC2)n1
InChIInChI=1S/C13H15FN6O/c14-9-4-3-5-10(8-9)21-13-17-11(19-15)16-12(18-13)20-6-1-2-7-20/h3-5,8H,1-2,6-7,15H2,(H,16,17,18,19)
InChIKeyKWRZULIIFWLLRN-UHFFFAOYSA-N
XLogP1.69
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (CID 80910078) is [4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is NNc1nc(Oc2cccc(F)c2)nc(N2CCCC2)n1.
What is the InChIKey of [4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is KWRZULIIFWLLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6O/c14-9-4-3-5-10(8-9)21-13-17-11(19-15)16-12(18-13)20-6-1-2-7-20/h3-5,8H,1-2,6-7,15H2,(H,16,17,18,19).
What are the key properties of [4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
[4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 290.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80910078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).