5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine

C11H15F3N4 — CID 114159280

IUPAC5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC2(C(F)(F)F)CC2)nc1CC
InChIInChI=1S/C11H15F3N4/c1-3-7-8(4-2)17-18-9(15-7)16-10(5-6-10)11(12,13)14/h3-6H2,1-2H3,(H,15,16,18)
InChIKeyFDISIPRWPMWCMN-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.50
Rot. Bonds4

About 5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine

5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine (PubChem CID 114159280) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine
PubChem CID114159280
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC2(C(F)(F)F)CC2)nc1CC
InChIInChI=1S/C11H15F3N4/c1-3-7-8(4-2)17-18-9(15-7)16-10(5-6-10)11(12,13)14/h3-6H2,1-2H3,(H,15,16,18)
InChIKeyFDISIPRWPMWCMN-UHFFFAOYSA-N
XLogP2.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362760
5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine
CID 105362761
5,6-diethyl-N-(5,5,5-trifluoropentyl)-1,2,4-triazin-3-amine
CID 105362762
5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine
CID 106214727
5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine
CID 106294030
N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
CID 107494134
N'-(5,6-diethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494332
N'-(5,6-diethyl-1,2,4-triazin-3-yl)-2,2-difluoropropane-1,3-diamine
CID 113707801
5,6-diethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine
CID 113847535
5,6-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine
CID 113847669

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine (CID 114159280) is 5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine is CCc1nnc(NC2(C(F)(F)F)CC2)nc1CC.
What is the InChIKey of 5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine?
The InChIKey is FDISIPRWPMWCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-3-7-8(4-2)17-18-9(15-7)16-10(5-6-10)11(12,13)14/h3-6H2,1-2H3,(H,15,16,18).
What are the key properties of 5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine has a molecular weight of 260.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 114159280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).