5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine

C10H15F3N4 — CID 105362627

IUPAC5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCC(F)(F)F)nc1CC
InChIInChI=1S/C10H15F3N4/c1-3-7-8(4-2)16-17-9(15-7)14-6-5-10(11,12)13/h3-6H2,1-2H3,(H,14,15,17)
InChIKeySDJULAIDJKMRSS-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.36
Rot. Bonds5

About 5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine

5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine (PubChem CID 105362627) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine
PubChem CID105362627
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCC(F)(F)F)nc1CC
InChIInChI=1S/C10H15F3N4/c1-3-7-8(4-2)16-17-9(15-7)14-6-5-10(11,12)13/h3-6H2,1-2H3,(H,14,15,17)
InChIKeySDJULAIDJKMRSS-UHFFFAOYSA-N
XLogP2.36
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine (CID 105362627) is 5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine is CCc1nnc(NCCC(F)(F)F)nc1CC.
What is the InChIKey of 5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine?
The InChIKey is SDJULAIDJKMRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-3-7-8(4-2)16-17-9(15-7)14-6-5-10(11,12)13/h3-6H2,1-2H3,(H,14,15,17).
What are the key properties of 5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine has a molecular weight of 248.25 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).