6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine

C16H16Cl2N4S — CID 129312296

IUPAC6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
SMILESClc1ccc(CSC2=NCN(Cc3cccnc3)CN2)c(Cl)c1
InChIInChI=1S/C16H16Cl2N4S/c17-14-4-3-13(15(18)6-14)9-23-16-20-10-22(11-21-16)8-12-2-1-5-19-7-12/h1-7H,8-11H2,(H,20,21)
InChIKeyWYIXBFAEDUSQBN-UHFFFAOYSA-N
MW367.31 g/mol
LogP4.00
Rot. Bonds4

About 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine

6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 129312296) has the molecular formula C16H16Cl2N4S and a molecular weight of 367.31 g/mol. Its IUPAC name is 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
PubChem CID129312296
Molecular FormulaC16H16Cl2N4S
Molecular Weight367.31 g/mol
Exact Mass366.05
IUPAC Name6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
SMILESClc1ccc(CSC2=NCN(Cc3cccnc3)CN2)c(Cl)c1
InChIInChI=1S/C16H16Cl2N4S/c17-14-4-3-13(15(18)6-14)9-23-16-20-10-22(11-21-16)8-12-2-1-5-19-7-12/h1-7H,8-11H2,(H,20,21)
InChIKeyWYIXBFAEDUSQBN-UHFFFAOYSA-N
XLogP4.00
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine (CID 129312296) is 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine is Clc1ccc(CSC2=NCN(Cc3cccnc3)CN2)c(Cl)c1.
What is the InChIKey of 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is WYIXBFAEDUSQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4S/c17-14-4-3-13(15(18)6-14)9-23-16-20-10-22(11-21-16)8-12-2-1-5-19-7-12/h1-7H,8-11H2,(H,20,21).
What are the key properties of 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine?
6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 367.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 129312296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).