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

C9H14F2N4O — CID 106545889

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCOCC(F)F)nc1C
InChIInChI=1S/C9H14F2N4O/c1-6-7(2)14-15-9(13-6)12-3-4-16-5-8(10)11/h8H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyYVLJCVICUDWDLB-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.18
Rot. Bonds6

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

N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 106545889) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID106545889
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCOCC(F)F)nc1C
InChIInChI=1S/C9H14F2N4O/c1-6-7(2)14-15-9(13-6)12-3-4-16-5-8(10)11/h8H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyYVLJCVICUDWDLB-UHFFFAOYSA-N
XLogP1.18
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.18
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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Related Compounds

4-[5,6-Bis(trifluoromethyl)-1,2,4-triazin-3-yl]morpholine
CID 21605229
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 104918969
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol
CID 104924655
5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine
CID 104925409
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol
CID 104925417
5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine
CID 105362647
5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine
CID 106294256
2-[2,2-Difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol
CID 107484296
2-[(5,6-Dimethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484584
N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine
CID 107494007
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113578243
5,6-dimethyl-N-(5,5,5-trifluoropentyl)-1,2,4-triazin-3-amine
CID 113586373

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine (CID 106545889) is N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1nnc(NCCOCC(F)F)nc1C.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is YVLJCVICUDWDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c1-6-7(2)14-15-9(13-6)12-3-4-16-5-8(10)11/h8H,3-5H2,1-2H3,(H,12,13,15).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 232.23 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 106545889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).