3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine

C14H14F3N5O — CID 112944305

IUPAC3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
SMILESFC(F)(F)c1ccc(Nc2cnnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C14H14F3N5O/c15-14(16,17)10-1-3-11(4-2-10)19-12-9-18-21-13(20-12)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H,19,20,21)
InChIKeyHRXRYVFKLGCXCF-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.47
Rot. Bonds3

About 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine

3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine (PubChem CID 112944305) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
PubChem CID112944305
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
SMILESFC(F)(F)c1ccc(Nc2cnnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C14H14F3N5O/c15-14(16,17)10-1-3-11(4-2-10)19-12-9-18-21-13(20-12)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H,19,20,21)
InChIKeyHRXRYVFKLGCXCF-UHFFFAOYSA-N
XLogP2.47
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Morpholin-4-yl-5-phenyl-[1,2,4]triazine
CID 6401689
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
6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
CID 134807009
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
N-[2-(2-morpholin-4-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 125423867
N-(2-ethoxyethyl)-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 22118863
8-(4-morpholin-4-ylphenyl)-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 56847634
5-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66583428
6-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66583429
8-N-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66584154

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine (CID 112944305) is 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine is FC(F)(F)c1ccc(Nc2cnnc(N3CCOCC3)n2)cc1.
What is the InChIKey of 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
The InChIKey is HRXRYVFKLGCXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c15-14(16,17)10-1-3-11(4-2-10)19-12-9-18-21-13(20-12)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H,19,20,21).
What are the key properties of 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine?
3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine has a molecular weight of 325.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 112944305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).