6-fluoro-1,3,5-triazine-2,4-diamine

C3H4FN5 — CID 13209

IUPAC6-fluoro-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(F)n1
InChIInChI=1S/C3H4FN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
InChIKeyYOKNHTLXSZVZKR-UHFFFAOYSA-N
MW129.10 g/mol
LogP-0.82
Rot. Bonds

About 6-fluoro-1,3,5-triazine-2,4-diamine

6-fluoro-1,3,5-triazine-2,4-diamine (PubChem CID 13209) has the molecular formula C3H4FN5 and a molecular weight of 129.10 g/mol. Its IUPAC name is 6-fluoro-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-fluoro-1,3,5-triazine-2,4-diamine
PubChem CID13209
Molecular FormulaC3H4FN5
Molecular Weight129.10 g/mol
Exact Mass129.05
IUPAC Name6-fluoro-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(F)n1
InChIInChI=1S/C3H4FN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
InChIKeyYOKNHTLXSZVZKR-UHFFFAOYSA-N
XLogP-0.82
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.10
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-fluoro-1,3,5-triazine-2,4-diamine (CID 13209) is 6-fluoro-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-fluoro-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-fluoro-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(F)n1.
What is the InChIKey of 6-fluoro-1,3,5-triazine-2,4-diamine?
The InChIKey is YOKNHTLXSZVZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9).
What are the key properties of 6-fluoro-1,3,5-triazine-2,4-diamine?
6-fluoro-1,3,5-triazine-2,4-diamine has a molecular weight of 129.10 g/mol, XLogP of -0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 13209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).