4-(fluoromethyl)-1,3,5-triazin-2-amine

C4H5FN4 — CID 175936607

IUPAC4-(fluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(CF)n1
InChIInChI=1S/C4H5FN4/c5-1-3-7-2-8-4(6)9-3/h2H,1H2,(H2,6,7,8,9)
InChIKeyIACYIHMDJZEQFR-UHFFFAOYSA-N
MW128.11 g/mol
LogP-0.08
Rot. Bonds1

About 4-(fluoromethyl)-1,3,5-triazin-2-amine

4-(fluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 175936607) has the molecular formula C4H5FN4 and a molecular weight of 128.11 g/mol. Its IUPAC name is 4-(fluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(fluoromethyl)-1,3,5-triazin-2-amine
PubChem CID175936607
Molecular FormulaC4H5FN4
Molecular Weight128.11 g/mol
Exact Mass128.05
IUPAC Name4-(fluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(CF)n1
InChIInChI=1S/C4H5FN4/c5-1-3-7-2-8-4(6)9-3/h2H,1H2,(H2,6,7,8,9)
InChIKeyIACYIHMDJZEQFR-UHFFFAOYSA-N
XLogP-0.08
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(fluoromethyl)-1,3,5-triazin-2-amine (CID 175936607) is 4-(fluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(fluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(fluoromethyl)-1,3,5-triazin-2-amine is Nc1ncnc(CF)n1.
What is the InChIKey of 4-(fluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is IACYIHMDJZEQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN4/c5-1-3-7-2-8-4(6)9-3/h2H,1H2,(H2,6,7,8,9).
What are the key properties of 4-(fluoromethyl)-1,3,5-triazin-2-amine?
4-(fluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 128.11 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 175936607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).