N-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H14F3N5O2 — CID 35417110

IUPACN-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(Nc2cc(C)nc3nc(C(F)(F)F)nn23)cc(OC)c1
InChIInChI=1S/C15H14F3N5O2/c1-8-4-12(20-9-5-10(24-2)7-11(6-9)25-3)23-14(19-8)21-13(22-23)15(16,17)18/h4-7,20H,1-3H3
InChIKeyZCONNNAAARINAG-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.21
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 35417110) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID35417110
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC NameN-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(Nc2cc(C)nc3nc(C(F)(F)F)nn23)cc(OC)c1
InChIInChI=1S/C15H14F3N5O2/c1-8-4-12(20-9-5-10(24-2)7-11(6-9)25-3)23-14(19-8)21-13(22-23)15(16,17)18/h4-7,20H,1-3H3
InChIKeyZCONNNAAARINAG-UHFFFAOYSA-N
XLogP3.21
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 35417110) is N-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1cc(Nc2cc(C)nc3nc(C(F)(F)F)nn23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZCONNNAAARINAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2/c1-8-4-12(20-9-5-10(24-2)7-11(6-9)25-3)23-14(19-8)21-13(22-23)15(16,17)18/h4-7,20H,1-3H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 353.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 35417110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).