6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine

C9H5F4N5 — CID 15388905

IUPAC6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2cc(F)c(F)c(F)c2F)c(N)n1
InChIInChI=1S/C9H5F4N5/c10-3-1-2(4(11)6(13)5(3)12)7-8(14)16-9(15)18-17-7/h1H,(H4,14,15,16,18)
InChIKeyVRAVMHXIPMWWOV-UHFFFAOYSA-N
MW259.17 g/mol
LogP1.26
Rot. Bonds1

About 6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine

6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 15388905) has the molecular formula C9H5F4N5 and a molecular weight of 259.17 g/mol. Its IUPAC name is 6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID15388905
Molecular FormulaC9H5F4N5
Molecular Weight259.17 g/mol
Exact Mass259.05
IUPAC Name6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2cc(F)c(F)c(F)c2F)c(N)n1
InChIInChI=1S/C9H5F4N5/c10-3-1-2(4(11)6(13)5(3)12)7-8(14)16-9(15)18-17-7/h1H,(H4,14,15,16,18)
InChIKeyVRAVMHXIPMWWOV-UHFFFAOYSA-N
XLogP1.26
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine (CID 15388905) is 6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine is Nc1nnc(-c2cc(F)c(F)c(F)c2F)c(N)n1.
What is the InChIKey of 6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is VRAVMHXIPMWWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F4N5/c10-3-1-2(4(11)6(13)5(3)12)7-8(14)16-9(15)18-17-7/h1H,(H4,14,15,16,18).
What are the key properties of 6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine?
6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 259.17 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,5-tetrafluorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 15388905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).