2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

C11H6ClFN6S — CID 62866329

IUPAC2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESFc1ccccc1Sc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C11H6ClFN6S/c12-9-16-10(19-6-14-5-15-19)18-11(17-9)20-8-4-2-1-3-7(8)13/h1-6H
InChIKeyVCOBFMIIKFCQNH-UHFFFAOYSA-N
MW308.73 g/mol
LogP2.40
Rot. Bonds3

About 2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (PubChem CID 62866329) has the molecular formula C11H6ClFN6S and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
PubChem CID62866329
Molecular FormulaC11H6ClFN6S
Molecular Weight308.73 g/mol
Exact Mass308.00
IUPAC Name2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESFc1ccccc1Sc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C11H6ClFN6S/c12-9-16-10(19-6-14-5-15-19)18-11(17-9)20-8-4-2-1-3-7(8)13/h1-6H
InChIKeyVCOBFMIIKFCQNH-UHFFFAOYSA-N
XLogP2.40
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine 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 2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (CID 62866329) is 2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is Fc1ccccc1Sc1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The InChIKey is VCOBFMIIKFCQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN6S/c12-9-16-10(19-6-14-5-15-19)18-11(17-9)20-8-4-2-1-3-7(8)13/h1-6H.
What are the key properties of 2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine has a molecular weight of 308.73 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-fluorophenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 62866329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).