7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C9H8N6O2 — CID 106419120

IUPAC7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NCc3ccno3)ncn12
InChIInChI=1S/C9H8N6O2/c16-9-14-13-8-3-7(11-5-15(8)9)10-4-6-1-2-12-17-6/h1-3,5,10H,4H2,(H,14,16)
InChIKeyGFOAWFDNCXOBPR-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.02
Rot. Bonds3

About 7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 106419120) has the molecular formula C9H8N6O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID106419120
Molecular FormulaC9H8N6O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NCc3ccno3)ncn12
InChIInChI=1S/C9H8N6O2/c16-9-14-13-8-3-7(11-5-15(8)9)10-4-6-1-2-12-17-6/h1-3,5,10H,4H2,(H,14,16)
InChIKeyGFOAWFDNCXOBPR-UHFFFAOYSA-N
XLogP0.02
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 106419120) is 7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is O=c1[nH]nc2cc(NCc3ccno3)ncn12.
What is the InChIKey of 7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is GFOAWFDNCXOBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O2/c16-9-14-13-8-3-7(11-5-15(8)9)10-4-6-1-2-12-17-6/h1-3,5,10H,4H2,(H,14,16).
What are the key properties of 7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 232.20 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2-oxazol-5-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 106419120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).