5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine

C9H13F3N4O — CID 114448195

IUPAC5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCOCC(F)(F)F)nc1C
InChIInChI=1S/C9H13F3N4O/c1-6-7(2)15-16-8(14-6)13-3-4-17-5-9(10,11)12/h3-5H2,1-2H3,(H,13,14,16)
InChIKeyOAMONHUZUWJMEQ-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.48
Rot. Bonds5

About 5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine

5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine (PubChem CID 114448195) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine
PubChem CID114448195
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCOCC(F)(F)F)nc1C
InChIInChI=1S/C9H13F3N4O/c1-6-7(2)15-16-8(14-6)13-3-4-17-5-9(10,11)12/h3-5H2,1-2H3,(H,13,14,16)
InChIKeyOAMONHUZUWJMEQ-UHFFFAOYSA-N
XLogP1.48
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine (CID 114448195) is 5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine is Cc1nnc(NCCOCC(F)(F)F)nc1C.
What is the InChIKey of 5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is OAMONHUZUWJMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-6-7(2)15-16-8(14-6)13-3-4-17-5-9(10,11)12/h3-5H2,1-2H3,(H,13,14,16).
What are the key properties of 5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine?
5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 250.22 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 114448195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).