5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine

C19H19F6N5O — CID 169154074

IUPAC5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESN/C=C\c1nc(NC2CCCCC2)nnc1-c1ccc(C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C19H19F6N5O/c20-18(21,22)11-6-7-13(15(10-11)31-19(23,24)25)16-14(8-9-26)28-17(30-29-16)27-12-4-2-1-3-5-12/h6-10,12H,1-5,26H2,(H,27,28,30)/b9-8-
InChIKeyMDUJXDODAJBGSA-HJWRWDBZSA-N
MW447.38 g/mol
LogP5.13
Rot. Bonds5

About 5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine

5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (PubChem CID 169154074) has the molecular formula C19H19F6N5O and a molecular weight of 447.38 g/mol. Its IUPAC name is 5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
PubChem CID169154074
Molecular FormulaC19H19F6N5O
Molecular Weight447.38 g/mol
Exact Mass447.15
IUPAC Name5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESN/C=C\c1nc(NC2CCCCC2)nnc1-c1ccc(C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C19H19F6N5O/c20-18(21,22)11-6-7-13(15(10-11)31-19(23,24)25)16-14(8-9-26)28-17(30-29-16)27-12-4-2-1-3-5-12/h6-10,12H,1-5,26H2,(H,27,28,30)/b9-8-
InChIKeyMDUJXDODAJBGSA-HJWRWDBZSA-N
XLogP5.13
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.38
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (CID 169154074) is 5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is N/C=C\c1nc(NC2CCCCC2)nnc1-c1ccc(C(F)(F)F)cc1OC(F)(F)F.
What is the InChIKey of 5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The InChIKey is MDUJXDODAJBGSA-HJWRWDBZSA-N. The full InChI is InChI=1S/C19H19F6N5O/c20-18(21,22)11-6-7-13(15(10-11)31-19(23,24)25)16-14(8-9-26)28-17(30-29-16)27-12-4-2-1-3-5-12/h6-10,12H,1-5,26H2,(H,27,28,30)/b9-8-.
What are the key properties of 5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine has a molecular weight of 447.38 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-aminoethenyl]-N-cyclohexyl-6-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 169154074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).