N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H18F3N5 — CID 107494332

IUPACN'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCc1nnc(N(CCN)CC(F)(F)F)nc1CC
InChIInChI=1S/C11H18F3N5/c1-3-8-9(4-2)17-18-10(16-8)19(6-5-15)7-11(12,13)14/h3-7,15H2,1-2H3
InChIKeyMKUQZDWTMASNCN-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.32
Rot. Bonds6

About N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494332) has the molecular formula C11H18F3N5 and a molecular weight of 277.29 g/mol. Its IUPAC name is N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494332
Molecular FormulaC11H18F3N5
Molecular Weight277.29 g/mol
Exact Mass277.15
IUPAC NameN'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCc1nnc(N(CCN)CC(F)(F)F)nc1CC
InChIInChI=1S/C11H18F3N5/c1-3-8-9(4-2)17-18-10(16-8)19(6-5-15)7-11(12,13)14/h3-7,15H2,1-2H3
InChIKeyMKUQZDWTMASNCN-UHFFFAOYSA-N
XLogP1.32
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494332) is N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCc1nnc(N(CCN)CC(F)(F)F)nc1CC.
What is the InChIKey of N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is MKUQZDWTMASNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5/c1-3-8-9(4-2)17-18-10(16-8)19(6-5-15)7-11(12,13)14/h3-7,15H2,1-2H3.
What are the key properties of N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 277.29 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).