6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine

C18H16Cl2F3N5O — CID 67286530

IUPAC6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)c1nnn(-c2c(Cl)cccc2Cl)c1COc1ccc(N)c(C(F)(F)F)n1
InChIInChI=1S/C18H16Cl2F3N5O/c1-9(2)15-13(28(27-26-15)16-10(19)4-3-5-11(16)20)8-29-14-7-6-12(24)17(25-14)18(21,22)23/h3-7,9H,8,24H2,1-2H3
InChIKeyODXAJJSOIAYSLZ-UHFFFAOYSA-N
MW446.26 g/mol
LogP5.27
Rot. Bonds5

About 6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine

6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine (PubChem CID 67286530) has the molecular formula C18H16Cl2F3N5O and a molecular weight of 446.26 g/mol. Its IUPAC name is 6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine
PubChem CID67286530
Molecular FormulaC18H16Cl2F3N5O
Molecular Weight446.26 g/mol
Exact Mass445.07
IUPAC Name6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)c1nnn(-c2c(Cl)cccc2Cl)c1COc1ccc(N)c(C(F)(F)F)n1
InChIInChI=1S/C18H16Cl2F3N5O/c1-9(2)15-13(28(27-26-15)16-10(19)4-3-5-11(16)20)8-29-14-7-6-12(24)17(25-14)18(21,22)23/h3-7,9H,8,24H2,1-2H3
InChIKeyODXAJJSOIAYSLZ-UHFFFAOYSA-N
XLogP5.27
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.26
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine (CID 67286530) is 6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine is CC(C)c1nnn(-c2c(Cl)cccc2Cl)c1COc1ccc(N)c(C(F)(F)F)n1.
What is the InChIKey of 6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine?
The InChIKey is ODXAJJSOIAYSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F3N5O/c1-9(2)15-13(28(27-26-15)16-10(19)4-3-5-11(16)20)8-29-14-7-6-12(24)17(25-14)18(21,22)23/h3-7,9H,8,24H2,1-2H3.
What are the key properties of 6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine?
6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine has a molecular weight of 446.26 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2,6-dichlorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 67286530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).