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

C11H17F3N4 — CID 105362761

IUPAC5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCC(F)(F)F)nc1CC
InChIInChI=1S/C11H17F3N4/c1-3-8-9(4-2)17-18-10(16-8)15-7-5-6-11(12,13)14/h3-7H2,1-2H3,(H,15,16,18)
InChIKeyYMNLSABKGQNVHE-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.75
Rot. Bonds6

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

5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine (PubChem CID 105362761) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine
PubChem CID105362761
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCC(F)(F)F)nc1CC
InChIInChI=1S/C11H17F3N4/c1-3-8-9(4-2)17-18-10(16-8)15-7-5-6-11(12,13)14/h3-7H2,1-2H3,(H,15,16,18)
InChIKeyYMNLSABKGQNVHE-UHFFFAOYSA-N
XLogP2.75
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5,6-Diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 102677457
5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine
CID 104925409
5,6-diethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine
CID 105362384
5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine
CID 105362627
5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine
CID 105362647
N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362760
5,6-diethyl-N-(5,5,5-trifluoropentyl)-1,2,4-triazin-3-amine
CID 105362762
5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine
CID 106294030
5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine
CID 106294256
3-[(5,6-Diethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol
CID 106544609
3-[(5,6-Diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol
CID 106545027
N-(2-chloroethyl)-5,6-diethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine
CID 107490704

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine (CID 105362761) is 5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine is CCc1nnc(NCCCC(F)(F)F)nc1CC.
What is the InChIKey of 5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine?
The InChIKey is YMNLSABKGQNVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-3-8-9(4-2)17-18-10(16-8)15-7-5-6-11(12,13)14/h3-7H2,1-2H3,(H,15,16,18).
What are the key properties of 5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine has a molecular weight of 262.28 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).