N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H15F2N5S — CID 162662932

IUPACN-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(F)cc2)n2nc(SCc3ccc(F)cc3)nc2n1
InChIInChI=1S/C19H15F2N5S/c1-12-10-17(23-16-8-6-15(21)7-9-16)26-18(22-12)24-19(25-26)27-11-13-2-4-14(20)5-3-13/h2-10,23H,11H2,1H3
InChIKeyQNWVJFGBZGNIPC-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.75
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162662932) has the molecular formula C19H15F2N5S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID162662932
Molecular FormulaC19H15F2N5S
Molecular Weight383.43 g/mol
Exact Mass383.10
IUPAC NameN-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(F)cc2)n2nc(SCc3ccc(F)cc3)nc2n1
InChIInChI=1S/C19H15F2N5S/c1-12-10-17(23-16-8-6-15(21)7-9-16)26-18(22-12)24-19(25-26)27-11-13-2-4-14(20)5-3-13/h2-10,23H,11H2,1H3
InChIKeyQNWVJFGBZGNIPC-UHFFFAOYSA-N
XLogP4.75
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 162662932) is N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3ccc(F)cc3)nc2n1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QNWVJFGBZGNIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5S/c1-12-10-17(23-16-8-6-15(21)7-9-16)26-18(22-12)24-19(25-26)27-11-13-2-4-14(20)5-3-13/h2-10,23H,11H2,1H3.
What are the key properties of N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 383.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162662932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).