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

C15H12N6O — CID 154752142

IUPACN-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(NCc3ccno3)n3ncnc3n2)cc1
InChIInChI=1S/C15H12N6O/c1-2-4-11(5-3-1)13-8-14(16-9-12-6-7-19-22-12)21-15(20-13)17-10-18-21/h1-8,10,16H,9H2
InChIKeyJVFFPMKEGLAIQI-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.39
Rot. Bonds4

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

N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 154752142) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID154752142
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(NCc3ccno3)n3ncnc3n2)cc1
InChIInChI=1S/C15H12N6O/c1-2-4-11(5-3-1)13-8-14(16-9-12-6-7-19-22-12)21-15(20-13)17-10-18-21/h1-8,10,16H,9H2
InChIKeyJVFFPMKEGLAIQI-UHFFFAOYSA-N
XLogP2.39
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 154752142) is N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is c1ccc(-c2cc(NCc3ccno3)n3ncnc3n2)cc1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JVFFPMKEGLAIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c1-2-4-11(5-3-1)13-8-14(16-9-12-6-7-19-22-12)21-15(20-13)17-10-18-21/h1-8,10,16H,9H2.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 292.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 154752142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).