4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine

C15H21F6N5O — CID 3251709

IUPAC4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCCC2)n1
InChIInChI=1S/C15H21F6N5O/c1-2-7-22-11-23-12(26-8-5-3-4-6-9-26)25-13(24-11)27-10(14(16,17)18)15(19,20)21/h10H,2-9H2,1H3,(H,22,23,24,25)
InChIKeyXTOYQAWYFDRFNG-UHFFFAOYSA-N
MW401.36 g/mol
LogP3.95
Rot. Bonds6

About 4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine

4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 3251709) has the molecular formula C15H21F6N5O and a molecular weight of 401.36 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
PubChem CID3251709
Molecular FormulaC15H21F6N5O
Molecular Weight401.36 g/mol
Exact Mass401.17
IUPAC Name4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCCC2)n1
InChIInChI=1S/C15H21F6N5O/c1-2-7-22-11-23-12(26-8-5-3-4-6-9-26)25-13(24-11)27-10(14(16,17)18)15(19,20)21/h10H,2-9H2,1H3,(H,22,23,24,25)
InChIKeyXTOYQAWYFDRFNG-UHFFFAOYSA-N
XLogP3.95
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-Ethylamino-4-piperidin-1-yl-6-(2,2,2-trifluoro-2-trifluoromethylethoxy)-[1,3,5]-triazine
CID 633000
N~2~-(sec-butyl)-N~4~,N~4~-diethyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 3094636
4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-pentyl-1,3,5-triazin-2-amine
CID 634924
N-methyl-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 5138987
4-N-butyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 126478020
4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 1115548
4-N-[(2S)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 1115549
4-(1-piperidinyl)-N-propyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 2192487
N-butyl-4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 2192544
N-butyl-4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazin-2-amine
CID 2827027
2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 3094635
6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-methyl-N'-propyl-1,3,5-triazine-2,4-diamine
CID 3485812

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine (CID 3251709) is 4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is XTOYQAWYFDRFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F6N5O/c1-2-7-22-11-23-12(26-8-5-3-4-6-9-26)25-13(24-11)27-10(14(16,17)18)15(19,20)21/h10H,2-9H2,1H3,(H,22,23,24,25).
What are the key properties of 4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 401.36 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3251709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).