N-fluoro-1,3,5-triazin-2-amine

C3H3FN4 — CID 18965676

IUPACN-fluoro-1,3,5-triazin-2-amine
SMILESFNc1ncncn1
InChIInChI=1S/C3H3FN4/c4-8-3-6-1-5-2-7-3/h1-2H,(H,5,6,7,8)
InChIKeyXHWQEKUBVKPOHK-UHFFFAOYSA-N
MW114.08 g/mol
LogP0.17
Rot. Bonds1

About N-fluoro-1,3,5-triazin-2-amine

N-fluoro-1,3,5-triazin-2-amine (PubChem CID 18965676) has the molecular formula C3H3FN4 and a molecular weight of 114.08 g/mol. Its IUPAC name is N-fluoro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-fluoro-1,3,5-triazin-2-amine
PubChem CID18965676
Molecular FormulaC3H3FN4
Molecular Weight114.08 g/mol
Exact Mass114.03
IUPAC NameN-fluoro-1,3,5-triazin-2-amine
SMILESFNc1ncncn1
InChIInChI=1S/C3H3FN4/c4-8-3-6-1-5-2-7-3/h1-2H,(H,5,6,7,8)
InChIKeyXHWQEKUBVKPOHK-UHFFFAOYSA-N
XLogP0.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.08
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-1,3,5-triazin-2-amine?
The IUPAC name of N-fluoro-1,3,5-triazin-2-amine (CID 18965676) is N-fluoro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-fluoro-1,3,5-triazin-2-amine?
The canonical SMILES for N-fluoro-1,3,5-triazin-2-amine is FNc1ncncn1.
What is the InChIKey of N-fluoro-1,3,5-triazin-2-amine?
The InChIKey is XHWQEKUBVKPOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN4/c4-8-3-6-1-5-2-7-3/h1-2H,(H,5,6,7,8).
What are the key properties of N-fluoro-1,3,5-triazin-2-amine?
N-fluoro-1,3,5-triazin-2-amine has a molecular weight of 114.08 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-1,3,5-triazin-2-amine is sourced from PubChem (CID 18965676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).