6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C15H9Cl2N5S — CID 3796877

IUPAC6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESClc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1Cl
InChIInChI=1S/C15H9Cl2N5S/c16-11-4-3-9(6-12(11)17)13-8-23-15-20-19-14(22(15)21-13)10-2-1-5-18-7-10/h1-7H,8H2
InChIKeyFKBIQENIHQXMHK-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.01
Rot. Bonds2

About 6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 3796877) has the molecular formula C15H9Cl2N5S and a molecular weight of 362.25 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID3796877
Molecular FormulaC15H9Cl2N5S
Molecular Weight362.25 g/mol
Exact Mass361.00
IUPAC Name6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESClc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1Cl
InChIInChI=1S/C15H9Cl2N5S/c16-11-4-3-9(6-12(11)17)13-8-23-15-20-19-14(22(15)21-13)10-2-1-5-18-7-10/h1-7H,8H2
InChIKeyFKBIQENIHQXMHK-UHFFFAOYSA-N
XLogP4.01
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 3796877) is 6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is Clc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1Cl.
What is the InChIKey of 6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is FKBIQENIHQXMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N5S/c16-11-4-3-9(6-12(11)17)13-8-23-15-20-19-14(22(15)21-13)10-2-1-5-18-7-10/h1-7H,8H2.
What are the key properties of 6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 362.25 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-3-pyridin-3-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 3796877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).