5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H19N7O — CID 133295621

IUPAC5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1noc(CCNc2cc(-c3ccccc3)nc3ncnn23)n1
InChIInChI=1S/C18H19N7O/c1-12(2)17-23-16(26-24-17)8-9-19-15-10-14(13-6-4-3-5-7-13)22-18-20-11-21-25(15)18/h3-7,10-12,19H,8-9H2,1-2H3
InChIKeyLJTPLSUDMRUIHA-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.95
Rot. Bonds6

About 5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133295621) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133295621
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1noc(CCNc2cc(-c3ccccc3)nc3ncnn23)n1
InChIInChI=1S/C18H19N7O/c1-12(2)17-23-16(26-24-17)8-9-19-15-10-14(13-6-4-3-5-7-13)22-18-20-11-21-25(15)18/h3-7,10-12,19H,8-9H2,1-2H3
InChIKeyLJTPLSUDMRUIHA-UHFFFAOYSA-N
XLogP2.95
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133295621) is 5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(C)c1noc(CCNc2cc(-c3ccccc3)nc3ncnn23)n1.
What is the InChIKey of 5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LJTPLSUDMRUIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-12(2)17-23-16(26-24-17)8-9-19-15-10-14(13-6-4-3-5-7-13)22-18-20-11-21-25(15)18/h3-7,10-12,19H,8-9H2,1-2H3.
What are the key properties of 5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 349.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133295621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).