3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol

C19H15F6N7O — CID 134197861

IUPAC3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol
SMILESCC1(O)CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1
InChIInChI=1S/C19H15F6N7O/c1-17(33)8-32(9-17)16-30-14(11-3-2-4-12(28-11)18(20,21)22)29-15(31-16)27-10-5-6-26-13(7-10)19(23,24)25/h2-7,33H,8-9H2,1H3,(H,26,27,29,30,31)
InChIKeyDHKKHKURDIRWAF-UHFFFAOYSA-N
MW471.37 g/mol
LogP3.68
Rot. Bonds4

About 3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol

3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol (PubChem CID 134197861) has the molecular formula C19H15F6N7O and a molecular weight of 471.37 g/mol. Its IUPAC name is 3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol
PubChem CID134197861
Molecular FormulaC19H15F6N7O
Molecular Weight471.37 g/mol
Exact Mass471.12
IUPAC Name3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol
SMILESCC1(O)CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1
InChIInChI=1S/C19H15F6N7O/c1-17(33)8-32(9-17)16-30-14(11-3-2-4-12(28-11)18(20,21)22)29-15(31-16)27-10-5-6-26-13(7-10)19(23,24)25/h2-7,33H,8-9H2,1H3,(H,26,27,29,30,31)
InChIKeyDHKKHKURDIRWAF-UHFFFAOYSA-N
XLogP3.68
TPSA99.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-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-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol?
The IUPAC name of 3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol (CID 134197861) is 3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol.
What is the SMILES notation for 3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol?
The canonical SMILES for 3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol is CC1(O)CN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.
What is the InChIKey of 3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol?
The InChIKey is DHKKHKURDIRWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N7O/c1-17(33)8-32(9-17)16-30-14(11-3-2-4-12(28-11)18(20,21)22)29-15(31-16)27-10-5-6-26-13(7-10)19(23,24)25/h2-7,33H,8-9H2,1H3,(H,26,27,29,30,31).
What are the key properties of 3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol?
3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol has a molecular weight of 471.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol is sourced from PubChem (CID 134197861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).