5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine

C7F13N5 — CID 12633768

IUPAC5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine
SMILESFc1nc(N(C(F)(F)F)C(F)(F)F)nnc1N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F13N5/c8-1-2(24(4(9,10)11)5(12,13)14)22-23-3(21-1)25(6(15,16)17)7(18,19)20
InChIKeyGIQFECFQUMARCJ-UHFFFAOYSA-N
MW401.09 g/mol
LogP3.70
Rot. Bonds2

About 5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine

5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine (PubChem CID 12633768) has the molecular formula C7F13N5 and a molecular weight of 401.09 g/mol. Its IUPAC name is 5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine.

Molecular Properties

Compound Name5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine
PubChem CID12633768
Molecular FormulaC7F13N5
Molecular Weight401.09 g/mol
Exact Mass400.99
IUPAC Name5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine
SMILESFc1nc(N(C(F)(F)F)C(F)(F)F)nnc1N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F13N5/c8-1-2(24(4(9,10)11)5(12,13)14)22-23-3(21-1)25(6(15,16)17)7(18,19)20
InChIKeyGIQFECFQUMARCJ-UHFFFAOYSA-N
XLogP3.70
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.09
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine?
The IUPAC name of 5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine (CID 12633768) is 5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine.
What is the SMILES notation for 5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine?
The canonical SMILES for 5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine is Fc1nc(N(C(F)(F)F)C(F)(F)F)nnc1N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine?
The InChIKey is GIQFECFQUMARCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F13N5/c8-1-2(24(4(9,10)11)5(12,13)14)22-23-3(21-1)25(6(15,16)17)7(18,19)20.
What are the key properties of 5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine?
5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine has a molecular weight of 401.09 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-N,3-N,6-N,6-N-tetrakis(trifluoromethyl)-1,2,4-triazine-3,6-diamine is sourced from PubChem (CID 12633768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).