N,N-diethyl-4-fluoro-1,3,5-triazin-2-amine

C7H11FN4 — CID 54436493

IUPACN,N-diethyl-4-fluoro-1,3,5-triazin-2-amine
SMILESCCN(CC)c1ncnc(F)n1
InChIInChI=1S/C7H11FN4/c1-3-12(4-2)7-10-5-9-6(8)11-7/h5H,3-4H2,1-2H3
InChIKeyLXMWUOKUABRINH-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.86
Rot. Bonds3

About N,N-diethyl-4-fluoro-1,3,5-triazin-2-amine

N,N-diethyl-4-fluoro-1,3,5-triazin-2-amine (PubChem CID 54436493) has the molecular formula C7H11FN4 and a molecular weight of 170.19 g/mol. Its IUPAC name is N,N-diethyl-4-fluoro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-fluoro-1,3,5-triazin-2-amine
PubChem CID54436493
Molecular FormulaC7H11FN4
Molecular Weight170.19 g/mol
Exact Mass170.10
IUPAC NameN,N-diethyl-4-fluoro-1,3,5-triazin-2-amine
SMILESCCN(CC)c1ncnc(F)n1
InChIInChI=1S/C7H11FN4/c1-3-12(4-2)7-10-5-9-6(8)11-7/h5H,3-4H2,1-2H3
InChIKeyLXMWUOKUABRINH-UHFFFAOYSA-N
XLogP0.86
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-fluoro-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diethyl-4-fluoro-1,3,5-triazin-2-amine (CID 54436493) is N,N-diethyl-4-fluoro-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diethyl-4-fluoro-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diethyl-4-fluoro-1,3,5-triazin-2-amine is CCN(CC)c1ncnc(F)n1.
What is the InChIKey of N,N-diethyl-4-fluoro-1,3,5-triazin-2-amine?
The InChIKey is LXMWUOKUABRINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4/c1-3-12(4-2)7-10-5-9-6(8)11-7/h5H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-fluoro-1,3,5-triazin-2-amine?
N,N-diethyl-4-fluoro-1,3,5-triazin-2-amine has a molecular weight of 170.19 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-fluoro-1,3,5-triazin-2-amine is sourced from PubChem (CID 54436493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).