5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C9H8N6O — CID 68587186

IUPAC5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCc1cc(-c2nccc3nc(N)nn23)no1
InChIInChI=1S/C9H8N6O/c1-5-4-6(14-16-5)8-11-3-2-7-12-9(10)13-15(7)8/h2-4H,1H3,(H2,10,13)
InChIKeyXOUCTGFVEBIEHS-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.67
Rot. Bonds1

About 5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 68587186) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is 5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID68587186
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCc1cc(-c2nccc3nc(N)nn23)no1
InChIInChI=1S/C9H8N6O/c1-5-4-6(14-16-5)8-11-3-2-7-12-9(10)13-15(7)8/h2-4H,1H3,(H2,10,13)
InChIKeyXOUCTGFVEBIEHS-UHFFFAOYSA-N
XLogP0.67
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of 5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 68587186) is 5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for 5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for 5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is Cc1cc(-c2nccc3nc(N)nn23)no1.
What is the InChIKey of 5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is XOUCTGFVEBIEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c1-5-4-6(14-16-5)8-11-3-2-7-12-9(10)13-15(7)8/h2-4H,1H3,(H2,10,13).
What are the key properties of 5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 216.20 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 68587186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).