4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine

C13H13F3N4O — CID 126679963

IUPAC4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine
SMILESNc1cc(OC(c2ccccc2)C(F)(F)F)c(N)c(N)n1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)11(7-4-2-1-3-5-7)21-8-6-9(17)20-12(19)10(8)18/h1-6,11H,18H2,(H4,17,19,20)
InChIKeyDDKLQDFIPIFVRK-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.51
Rot. Bonds3

About 4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine

4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine (PubChem CID 126679963) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine
PubChem CID126679963
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine
SMILESNc1cc(OC(c2ccccc2)C(F)(F)F)c(N)c(N)n1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)11(7-4-2-1-3-5-7)21-8-6-9(17)20-12(19)10(8)18/h1-6,11H,18H2,(H4,17,19,20)
InChIKeyDDKLQDFIPIFVRK-UHFFFAOYSA-N
XLogP2.51
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine 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

Carbamic acid, (5-amino-3-phenyl-2H-pyrido(4,3-b)-1,4-oxazin-7-yl)-, ethyl ester
CID 100678
ethyl N-(5-amino-2-methyl-3-phenyl-2H-pyrido[4,3-b][1,4]oxazin-7-yl)carbamate
CID 5270520
3-[(4-Phenylmethoxyphenyl)diazenyl]pyridine-2,6-diamine
CID 178302486
6-(2,3,5,6-Tetrafluoro-4-vinylphenyloxy) pyridine-2,4diamine
CID 172914408
Agn-PC-0nhor0
CID 12069799
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-phenyldiazenylpyridine-2,6-diamine;dihydrochloride
CID 117597870
4-[(4-Fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine
CID 20037963
2-Amino-3-(2,6-difluorobenzyloxy)-6-methylpyridine
CID 20077021
6-Phenoxy-5-(trifluoromethyl)pyridine-2,3-diamine
CID 23063783
N'-[3-[(2,6-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-2-phenylethanimidamide
CID 54377126
4-[(4-Methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,3-diamine
CID 67400984
6-(4-Trifluoromethyl-phenoxymethyl)-pyridin-2-ylamine
CID 68842874

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine?
The IUPAC name of 4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine (CID 126679963) is 4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine.
What is the SMILES notation for 4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine?
The canonical SMILES for 4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine is Nc1cc(OC(c2ccccc2)C(F)(F)F)c(N)c(N)n1.
What is the InChIKey of 4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine?
The InChIKey is DDKLQDFIPIFVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c14-13(15,16)11(7-4-2-1-3-5-7)21-8-6-9(17)20-12(19)10(8)18/h1-6,11H,18H2,(H4,17,19,20).
What are the key properties of 4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine?
4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine has a molecular weight of 298.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoro-1-phenylethoxy)pyridine-2,3,6-triamine is sourced from PubChem (CID 126679963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).