5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H16F3N5O — CID 132576030

IUPAC5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)Oc1ccc(CCNc2cc(-c3ccccc3)nc3ncnn23)cc1
InChIInChI=1S/C20H16F3N5O/c21-20(22,23)29-16-8-6-14(7-9-16)10-11-24-18-12-17(15-4-2-1-3-5-15)27-19-25-13-26-28(18)19/h1-9,12-13,24H,10-11H2
InChIKeyUHLBOQUTHAHGEO-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.34
Rot. Bonds6

About 5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 132576030) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID132576030
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)Oc1ccc(CCNc2cc(-c3ccccc3)nc3ncnn23)cc1
InChIInChI=1S/C20H16F3N5O/c21-20(22,23)29-16-8-6-14(7-9-16)10-11-24-18-12-17(15-4-2-1-3-5-15)27-19-25-13-26-28(18)19/h1-9,12-13,24H,10-11H2
InChIKeyUHLBOQUTHAHGEO-UHFFFAOYSA-N
XLogP4.34
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 132576030) is 5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)Oc1ccc(CCNc2cc(-c3ccccc3)nc3ncnn23)cc1.
What is the InChIKey of 5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UHLBOQUTHAHGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c21-20(22,23)29-16-8-6-14(7-9-16)10-11-24-18-12-17(15-4-2-1-3-5-15)27-19-25-13-26-28(18)19/h1-9,12-13,24H,10-11H2.
What are the key properties of 5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 399.38 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 132576030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).