1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

C19H15Cl2F2N7OS — CID 118730096

IUPAC1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESNn1c(SCC(O)(Cn2cncn2)c2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2F2N7OS/c20-11-1-3-13(15(21)5-11)17-27-28-18(30(17)24)32-8-19(31,7-29-10-25-9-26-29)14-4-2-12(22)6-16(14)23/h1-6,9-10,31H,7-8,24H2
InChIKeyHORVJFBFBCMBII-UHFFFAOYSA-N
MW498.35 g/mol
LogP3.52
Rot. Bonds7

About 1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 118730096) has the molecular formula C19H15Cl2F2N7OS and a molecular weight of 498.35 g/mol. Its IUPAC name is 1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID118730096
Molecular FormulaC19H15Cl2F2N7OS
Molecular Weight498.35 g/mol
Exact Mass497.04
IUPAC Name1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESNn1c(SCC(O)(Cn2cncn2)c2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2F2N7OS/c20-11-1-3-13(15(21)5-11)17-27-28-18(30(17)24)32-8-19(31,7-29-10-25-9-26-29)14-4-2-12(22)6-16(14)23/h1-6,9-10,31H,7-8,24H2
InChIKeyHORVJFBFBCMBII-UHFFFAOYSA-N
XLogP3.52
TPSA107.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-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 1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 118730096) is 1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is Nn1c(SCC(O)(Cn2cncn2)c2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is HORVJFBFBCMBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2F2N7OS/c20-11-1-3-13(15(21)5-11)17-27-28-18(30(17)24)32-8-19(31,7-29-10-25-9-26-29)14-4-2-12(22)6-16(14)23/h1-6,9-10,31H,7-8,24H2.
What are the key properties of 1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?
1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 498.35 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 118730096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).