4-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline

C13H13FN4O — CID 143163647

IUPAC4-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline
SMILESC=CN1N=CN=C(Oc2ccc(N)cc2F)/C1=C/C
InChIInChI=1S/C13H13FN4O/c1-3-11-13(16-8-17-18(11)4-2)19-12-6-5-9(15)7-10(12)14/h3-8H,2,15H2,1H3/b11-3-
InChIKeyGZBRXMJTERIWNU-JYOAFUTRSA-N
MW260.27 g/mol
LogP2.49
Rot. Bonds2

About 4-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline

4-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline (PubChem CID 143163647) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline
PubChem CID143163647
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name4-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline
SMILESC=CN1N=CN=C(Oc2ccc(N)cc2F)/C1=C/C
InChIInChI=1S/C13H13FN4O/c1-3-11-13(16-8-17-18(11)4-2)19-12-6-5-9(15)7-10(12)14/h3-8H,2,15H2,1H3/b11-3-
InChIKeyGZBRXMJTERIWNU-JYOAFUTRSA-N
XLogP2.49
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline?
The IUPAC name of 4-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline (CID 143163647) is 4-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline.
What is the SMILES notation for 4-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline?
The canonical SMILES for 4-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline is C=CN1N=CN=C(Oc2ccc(N)cc2F)/C1=C/C.
What is the InChIKey of 4-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline?
The InChIKey is GZBRXMJTERIWNU-JYOAFUTRSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-3-11-13(16-8-17-18(11)4-2)19-12-6-5-9(15)7-10(12)14/h3-8H,2,15H2,1H3/b11-3-.
What are the key properties of 4-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline?
4-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline has a molecular weight of 260.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6Z)-1-ethenyl-6-ethylidene-1,2,4-triazin-5-yl]oxy]-3-fluoroaniline is sourced from PubChem (CID 143163647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).