4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one

C8H10N4O2 — CID 66908669

IUPAC4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one
SMILESCC(C)c1nnnc2c1OCC(=O)N2
InChIInChI=1S/C8H10N4O2/c1-4(2)6-7-8(11-12-10-6)9-5(13)3-14-7/h4H,3H2,1-2H3,(H,9,10,11,13)
InChIKeyNIUKSRLBXHQWIE-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.33
Rot. Bonds1

About 4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one

4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one (PubChem CID 66908669) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one.

Molecular Properties

Compound Name4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one
PubChem CID66908669
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one
SMILESCC(C)c1nnnc2c1OCC(=O)N2
InChIInChI=1S/C8H10N4O2/c1-4(2)6-7-8(11-12-10-6)9-5(13)3-14-7/h4H,3H2,1-2H3,(H,9,10,11,13)
InChIKeyNIUKSRLBXHQWIE-UHFFFAOYSA-N
XLogP0.33
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one?
The IUPAC name of 4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one (CID 66908669) is 4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one.
What is the SMILES notation for 4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one?
The canonical SMILES for 4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one is CC(C)c1nnnc2c1OCC(=O)N2.
What is the InChIKey of 4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one?
The InChIKey is NIUKSRLBXHQWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-4(2)6-7-8(11-12-10-6)9-5(13)3-14-7/h4H,3H2,1-2H3,(H,9,10,11,13).
What are the key properties of 4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one?
4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one has a molecular weight of 194.19 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one is sourced from PubChem (CID 66908669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).