3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine

C16H19F3N6O — CID 112945365

IUPAC3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
SMILESFC(F)(F)c1ccc(Nc2cnnc(NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C16H19F3N6O/c17-16(18,19)12-1-3-13(4-2-12)22-14-11-21-24-15(23-14)20-5-6-25-7-9-26-10-8-25/h1-4,11H,5-10H2,(H2,20,22,23,24)
InChIKeyOWRDVEFHAUADJF-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.38
Rot. Bonds6

About 3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine

3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine (PubChem CID 112945365) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
PubChem CID112945365
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
SMILESFC(F)(F)c1ccc(Nc2cnnc(NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C16H19F3N6O/c17-16(18,19)12-1-3-13(4-2-12)22-14-11-21-24-15(23-14)20-5-6-25-7-9-26-10-8-25/h1-4,11H,5-10H2,(H2,20,22,23,24)
InChIKeyOWRDVEFHAUADJF-UHFFFAOYSA-N
XLogP2.38
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

1-(1,2,4-triazin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 53494177
as-Triazine, 3-methoxy-5-(p-morpholinophenyl)-
CID 3053066
N-(2-morpholin-4-ylethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
CID 44631790
N-(3-morpholin-4-ylpropyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
CID 44631792
N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-3-amine
CID 57396634
6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
CID 134807009
Sdccgsbi-0117563.P001
CID 45213691
N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 126475800
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine
CID 134809092
N-{[1-(4-morpholinyl)cyclopentyl]methyl}-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 25375316
5-(2-fluorophenyl)-N-[3-(4-morpholinyl)propyl]-1,2,4-triazin-3-amine
CID 28309143
5-(4-fluorophenyl)-N-[3-(4-morpholinyl)propyl]-1,2,4-triazin-3-amine
CID 29256700

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine (CID 112945365) is 3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine is FC(F)(F)c1ccc(Nc2cnnc(NCCN3CCOCC3)n2)cc1.
What is the InChIKey of 3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is OWRDVEFHAUADJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c17-16(18,19)12-1-3-13(4-2-12)22-14-11-21-24-15(23-14)20-5-6-25-7-9-26-10-8-25/h1-4,11H,5-10H2,(H2,20,22,23,24).
What are the key properties of 3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine?
3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 368.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-morpholin-4-ylethyl)-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112945365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).