3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol

C16H19Cl2F3N6O — CID 118166042

IUPAC3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCN(CCN(C)c1nnc(-c2cccc(Cl)c2Cl)c(N)n1)CC(O)C(F)(F)F
InChIInChI=1S/C16H19Cl2F3N6O/c1-26(8-11(28)16(19,20)21)6-7-27(2)15-23-14(22)13(24-25-15)9-4-3-5-10(17)12(9)18/h3-5,11,28H,6-8H2,1-2H3,(H2,22,23,25)
InChIKeyMZILTZQGQCCJLP-UHFFFAOYSA-N
MW439.27 g/mol
LogP2.72
Rot. Bonds7

About 3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol

3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 118166042) has the molecular formula C16H19Cl2F3N6O and a molecular weight of 439.27 g/mol. Its IUPAC name is 3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID118166042
Molecular FormulaC16H19Cl2F3N6O
Molecular Weight439.27 g/mol
Exact Mass438.09
IUPAC Name3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCN(CCN(C)c1nnc(-c2cccc(Cl)c2Cl)c(N)n1)CC(O)C(F)(F)F
InChIInChI=1S/C16H19Cl2F3N6O/c1-26(8-11(28)16(19,20)21)6-7-27(2)15-23-14(22)13(24-25-15)9-4-3-5-10(17)12(9)18/h3-5,11,28H,6-8H2,1-2H3,(H2,22,23,25)
InChIKeyMZILTZQGQCCJLP-UHFFFAOYSA-N
XLogP2.72
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol (CID 118166042) is 3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol is CN(CCN(C)c1nnc(-c2cccc(Cl)c2Cl)c(N)n1)CC(O)C(F)(F)F.
What is the InChIKey of 3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is MZILTZQGQCCJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2F3N6O/c1-26(8-11(28)16(19,20)21)6-7-27(2)15-23-14(22)13(24-25-15)9-4-3-5-10(17)12(9)18/h3-5,11,28H,6-8H2,1-2H3,(H2,22,23,25).
What are the key properties of 3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol?
3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 439.27 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-methylamino]ethyl-methylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 118166042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).