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

C14H12F3N5O2 — CID 22332699

IUPAC5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1OC
InChIInChI=1S/C14H12F3N5O2/c1-23-9-4-3-7(5-10(9)24-2)8-6-11(14(15,16)17)22-13(19-8)20-12(18)21-22/h3-6H,1-2H3,(H2,18,21)
InChIKeyJARZZCGQPVIEBO-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.41
Rot. Bonds3

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

5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 22332699) has the molecular formula C14H12F3N5O2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID22332699
Molecular FormulaC14H12F3N5O2
Molecular Weight339.28 g/mol
Exact Mass339.09
IUPAC Name5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1OC
InChIInChI=1S/C14H12F3N5O2/c1-23-9-4-3-7(5-10(9)24-2)8-6-11(14(15,16)17)22-13(19-8)20-12(18)21-22/h3-6H,1-2H3,(H2,18,21)
InChIKeyJARZZCGQPVIEBO-UHFFFAOYSA-N
XLogP2.41
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 22332699) is 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is JARZZCGQPVIEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2/c1-23-9-4-3-7(5-10(9)24-2)8-6-11(14(15,16)17)22-13(19-8)20-12(18)21-22/h3-6H,1-2H3,(H2,18,21).
What are the key properties of 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 339.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 22332699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).