1H-pyrazolo[5,4-d][1,3]oxazin-4-one

C5H3N3O2 — CID 66843817

IUPAC1H-pyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1ocnc2[nH]ncc12
InChIInChI=1S/C5H3N3O2/c9-5-3-1-7-8-4(3)6-2-10-5/h1-2H,(H,7,8)
InChIKeyRXPSUBPHRYUCBR-UHFFFAOYSA-N
MW137.10 g/mol
LogP-0.09
Rot. Bonds

About 1H-pyrazolo[5,4-d][1,3]oxazin-4-one

1H-pyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 66843817) has the molecular formula C5H3N3O2 and a molecular weight of 137.10 g/mol. Its IUPAC name is 1H-pyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name1H-pyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID66843817
Molecular FormulaC5H3N3O2
Molecular Weight137.10 g/mol
Exact Mass137.02
IUPAC Name1H-pyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1ocnc2[nH]ncc12
InChIInChI=1S/C5H3N3O2/c9-5-3-1-7-8-4(3)6-2-10-5/h1-2H,(H,7,8)
InChIKeyRXPSUBPHRYUCBR-UHFFFAOYSA-N
XLogP-0.09
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1H-pyrazolo[5,4-d][1,3]oxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 1H-pyrazolo[5,4-d][1,3]oxazin-4-one (CID 66843817) is 1H-pyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 1H-pyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 1H-pyrazolo[5,4-d][1,3]oxazin-4-one is O=c1ocnc2[nH]ncc12.
What is the InChIKey of 1H-pyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is RXPSUBPHRYUCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O2/c9-5-3-1-7-8-4(3)6-2-10-5/h1-2H,(H,7,8).
What are the key properties of 1H-pyrazolo[5,4-d][1,3]oxazin-4-one?
1H-pyrazolo[5,4-d][1,3]oxazin-4-one has a molecular weight of 137.10 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 66843817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).