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

C13H14F2N4 — CID 114448450

IUPACN-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCc2cc(F)cc(F)c2)nc1C
InChIInChI=1S/C13H14F2N4/c1-8-9(2)18-19-13(17-8)16-4-3-10-5-11(14)7-12(15)6-10/h5-7H,3-4H2,1-2H3,(H,16,17,19)
InChIKeyZEAZTXYDGPPUAG-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.42
Rot. Bonds4

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

N-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 114448450) has the molecular formula C13H14F2N4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID114448450
Molecular FormulaC13H14F2N4
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCc2cc(F)cc(F)c2)nc1C
InChIInChI=1S/C13H14F2N4/c1-8-9(2)18-19-13(17-8)16-4-3-10-5-11(14)7-12(15)6-10/h5-7H,3-4H2,1-2H3,(H,16,17,19)
InChIKeyZEAZTXYDGPPUAG-UHFFFAOYSA-N
XLogP2.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine (CID 114448450) is N-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1nnc(NCCc2cc(F)cc(F)c2)nc1C.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is ZEAZTXYDGPPUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4/c1-8-9(2)18-19-13(17-8)16-4-3-10-5-11(14)7-12(15)6-10/h5-7H,3-4H2,1-2H3,(H,16,17,19).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
N-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 264.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 114448450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).