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

C13H8Cl2F3N5 — CID 71595069

IUPACN-(2,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Cl)cc2Cl)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H8Cl2F3N5/c1-6-4-10(20-9-3-2-7(14)5-8(9)15)23-12(19-6)21-11(22-23)13(16,17)18/h2-5,20H,1H3
InChIKeyWNJBMAHTUYSBQX-UHFFFAOYSA-N
MW362.14 g/mol
LogP4.50
Rot. Bonds2

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

N-(2,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71595069) has the molecular formula C13H8Cl2F3N5 and a molecular weight of 362.14 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID71595069
Molecular FormulaC13H8Cl2F3N5
Molecular Weight362.14 g/mol
Exact Mass361.01
IUPAC NameN-(2,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Cl)cc2Cl)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H8Cl2F3N5/c1-6-4-10(20-9-3-2-7(14)5-8(9)15)23-12(19-6)21-11(22-23)13(16,17)18/h2-5,20H,1H3
InChIKeyWNJBMAHTUYSBQX-UHFFFAOYSA-N
XLogP4.50
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.14
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 71595069) is N-(2,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(Cl)cc2Cl)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WNJBMAHTUYSBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3N5/c1-6-4-10(20-9-3-2-7(14)5-8(9)15)23-12(19-6)21-11(22-23)13(16,17)18/h2-5,20H,1H3.
What are the key properties of N-(2,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 362.14 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71595069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).