1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol

C21H18F6N6O — CID 155667013

IUPAC1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2nc(Nc3ccc(C(F)(F)F)cc3)nc(Nc3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C21H18F6N6O/c22-20(23,24)12-4-6-14(7-5-12)28-17-30-18(32-19(31-17)33-9-8-16(34)11-33)29-15-3-1-2-13(10-15)21(25,26)27/h1-7,10,16,34H,8-9,11H2,(H2,28,29,30,31,32)
InChIKeyUTBHHLVJDHWZHW-UHFFFAOYSA-N
MW484.40 g/mol
LogP4.97
Rot. Bonds5

About 1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol

1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol (PubChem CID 155667013) has the molecular formula C21H18F6N6O and a molecular weight of 484.40 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
PubChem CID155667013
Molecular FormulaC21H18F6N6O
Molecular Weight484.40 g/mol
Exact Mass484.14
IUPAC Name1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2nc(Nc3ccc(C(F)(F)F)cc3)nc(Nc3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C21H18F6N6O/c22-20(23,24)12-4-6-14(7-5-12)28-17-30-18(32-19(31-17)33-9-8-16(34)11-33)29-15-3-1-2-13(10-15)21(25,26)27/h1-7,10,16,34H,8-9,11H2,(H2,28,29,30,31,32)
InChIKeyUTBHHLVJDHWZHW-UHFFFAOYSA-N
XLogP4.97
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.40
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-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

Related Compounds

(3S)-1-[4-[3-(trifluoromethyl)anilino]-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 155667018
1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 159987665
(3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 159987664
1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]-3-methylpyrrolidin-3-ol
CID 160975266
6-N-[2-[4-[4-(4-methoxyanilino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-4-N-(4-methoxyphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 56696819
2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 154659659
3-[4-[[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
CID 58949165
cyclopropyl-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]methanone
CID 58040390
2-N-[(4-bromophenyl)methylideneamino]-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 75611620
4-ethoxy-6-[4-(4-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58039444
4-bromo-2-[(Z)-[[4-morpholin-4-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 136772688
4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
CID 122677415

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol (CID 155667013) is 1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol is OC1CCN(c2nc(Nc3ccc(C(F)(F)F)cc3)nc(Nc3cccc(C(F)(F)F)c3)n2)C1.
What is the InChIKey of 1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The InChIKey is UTBHHLVJDHWZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F6N6O/c22-20(23,24)12-4-6-14(7-5-12)28-17-30-18(32-19(31-17)33-9-8-16(34)11-33)29-15-3-1-2-13(10-15)21(25,26)27/h1-7,10,16,34H,8-9,11H2,(H2,28,29,30,31,32).
What are the key properties of 1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol has a molecular weight of 484.40 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 155667013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).