2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol

C11H18F2N4O — CID 107484260

IUPAC2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCCc1nnc(N(CCO)CC(F)F)nc1CC
InChIInChI=1S/C11H18F2N4O/c1-3-8-9(4-2)15-16-11(14-8)17(5-6-18)7-10(12)13/h10,18H,3-7H2,1-2H3
InChIKeyFTFABDPPXMJMSS-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.06
Rot. Bonds7

About 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol

2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107484260) has the molecular formula C11H18F2N4O and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107484260
Molecular FormulaC11H18F2N4O
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCCc1nnc(N(CCO)CC(F)F)nc1CC
InChIInChI=1S/C11H18F2N4O/c1-3-8-9(4-2)15-16-11(14-8)17(5-6-18)7-10(12)13/h10,18H,3-7H2,1-2H3
InChIKeyFTFABDPPXMJMSS-UHFFFAOYSA-N
XLogP1.06
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107484260) is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol is CCc1nnc(N(CCO)CC(F)F)nc1CC.
What is the InChIKey of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is FTFABDPPXMJMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O/c1-3-8-9(4-2)15-16-11(14-8)17(5-6-18)7-10(12)13/h10,18H,3-7H2,1-2H3.
What are the key properties of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 260.29 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107484260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).