3H-[1,2]oxazolo[4,3-d]triazin-4-one

C4H2N4O2 — CID 141311007

IUPAC3H-[1,2]oxazolo[4,3-d]triazin-4-one
SMILESO=c1[nH]nnc2conc12
InChIInChI=1S/C4H2N4O2/c9-4-3-2(1-10-7-3)5-8-6-4/h1H,(H,5,6,9)
InChIKeyKMTHASOYWLTORG-UHFFFAOYSA-N
MW138.09 g/mol
LogP-0.69
Rot. Bonds

About 3H-[1,2]oxazolo[4,3-d]triazin-4-one

3H-[1,2]oxazolo[4,3-d]triazin-4-one (PubChem CID 141311007) has the molecular formula C4H2N4O2 and a molecular weight of 138.09 g/mol. Its IUPAC name is 3H-[1,2]oxazolo[4,3-d]triazin-4-one.

Molecular Properties

Compound Name3H-[1,2]oxazolo[4,3-d]triazin-4-one
PubChem CID141311007
Molecular FormulaC4H2N4O2
Molecular Weight138.09 g/mol
Exact Mass138.02
IUPAC Name3H-[1,2]oxazolo[4,3-d]triazin-4-one
SMILESO=c1[nH]nnc2conc12
InChIInChI=1S/C4H2N4O2/c9-4-3-2(1-10-7-3)5-8-6-4/h1H,(H,5,6,9)
InChIKeyKMTHASOYWLTORG-UHFFFAOYSA-N
XLogP-0.69
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3H-[1,2]oxazolo[4,3-d]triazin-4-one?
The IUPAC name of 3H-[1,2]oxazolo[4,3-d]triazin-4-one (CID 141311007) is 3H-[1,2]oxazolo[4,3-d]triazin-4-one.
What is the SMILES notation for 3H-[1,2]oxazolo[4,3-d]triazin-4-one?
The canonical SMILES for 3H-[1,2]oxazolo[4,3-d]triazin-4-one is O=c1[nH]nnc2conc12.
What is the InChIKey of 3H-[1,2]oxazolo[4,3-d]triazin-4-one?
The InChIKey is KMTHASOYWLTORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N4O2/c9-4-3-2(1-10-7-3)5-8-6-4/h1H,(H,5,6,9).
What are the key properties of 3H-[1,2]oxazolo[4,3-d]triazin-4-one?
3H-[1,2]oxazolo[4,3-d]triazin-4-one has a molecular weight of 138.09 g/mol, XLogP of -0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-[1,2]oxazolo[4,3-d]triazin-4-one is sourced from PubChem (CID 141311007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).