N-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine

C11H17F3N4O2 — CID 82793486

IUPACN-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(OCCCC(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O2/c1-3-6-19-9-16-8(15-2)17-10(18-9)20-7-4-5-11(12,13)14/h3-7H2,1-2H3,(H,15,16,17,18)
InChIKeyDKJKHYYJSAOVOO-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.42
Rot. Bonds8

About N-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine

N-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine (PubChem CID 82793486) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is N-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
PubChem CID82793486
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC NameN-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(OCCCC(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O2/c1-3-6-19-9-16-8(15-2)17-10(18-9)20-7-4-5-11(12,13)14/h3-7H2,1-2H3,(H,15,16,17,18)
InChIKeyDKJKHYYJSAOVOO-UHFFFAOYSA-N
XLogP2.42
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine (CID 82793486) is N-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(OCCCC(F)(F)F)n1.
What is the InChIKey of N-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The InChIKey is DKJKHYYJSAOVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-3-6-19-9-16-8(15-2)17-10(18-9)20-7-4-5-11(12,13)14/h3-7H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
N-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine has a molecular weight of 294.28 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 82793486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).