5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine

C15H20FN5 — CID 112953783

IUPAC5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1cnnc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C15H20FN5/c1-3-21(4-2)14-11-18-20-15(19-14)17-10-9-12-5-7-13(16)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19,20)
InChIKeyLPSPXZNQFDLYGM-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.51
Rot. Bonds7

About 5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine

5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine (PubChem CID 112953783) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
PubChem CID112953783
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1cnnc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C15H20FN5/c1-3-21(4-2)14-11-18-20-15(19-14)17-10-9-12-5-7-13(16)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19,20)
InChIKeyLPSPXZNQFDLYGM-UHFFFAOYSA-N
XLogP2.51
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine
CID 112947736
5-N-(2-ethylphenyl)-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953811
5-N-(2,6-diethylphenyl)-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953818
5-N-cyclopropyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112939128
5-N-(4-tert-butylphenyl)-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953821
N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
CID 112944060
5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112958215
5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112953666
5-N-(2-ethyl-6-methylphenyl)-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953814
4-[3-[2-(4-fluorophenyl)ethylamino]-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946504
5-N-[(4-fluorophenyl)methyl]-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938520
3-N-[2-(3-chlorophenyl)ethyl]-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953667

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine (CID 112953783) is 5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine is CCN(CC)c1cnnc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is LPSPXZNQFDLYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-3-21(4-2)14-11-18-20-15(19-14)17-10-9-12-5-7-13(16)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19,20).
What are the key properties of 5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine?
5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 289.36 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-diethyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112953783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).