1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one

C5H6N4O2 — CID 137243957

IUPAC1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one
SMILESCn1nnc2c1NC(=O)CO2
InChIInChI=1S/C5H6N4O2/c1-9-4-5(7-8-9)11-2-3(10)6-4/h2H2,1H3,(H,6,10)
InChIKeyRUSGBOVJMMUOKO-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.85
Rot. Bonds

About 1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one

1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one (PubChem CID 137243957) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one.

Molecular Properties

Compound Name1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one
PubChem CID137243957
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one
SMILESCn1nnc2c1NC(=O)CO2
InChIInChI=1S/C5H6N4O2/c1-9-4-5(7-8-9)11-2-3(10)6-4/h2H2,1H3,(H,6,10)
InChIKeyRUSGBOVJMMUOKO-UHFFFAOYSA-N
XLogP-0.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one
CID 137243996
5H-pyridazino[3,4-b][1,4]oxazin-6-one
CID 118023009
4H-pyrazino[2,3-b][1,4]oxazin-3-one
CID 118022747
2-methyl-3,5-dihydropyrimido[4,5-b][1,4]oxazine-4,6-dione
CID 13445892
2-ethyl-5H-pyrimido[4,5-b][1,4]oxazin-6-one
CID 57145879
2-(1-methyltriazol-4-yl)morpholine-3,5-dione
CID 154633985
1-(2,5-difluoro-4-pyridinyl)ethyl 2-[3-methyl-5-(2-oxo-1H-pyrido[2,3-b][1,4]oxazin-6-yl)triazol-4-yl]acetate
CID 163707489
2-oxo-1H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid
CID 71463966
5-methyl-1,6-dihydropyrido[2,3-b][1,4]oxazin-2-one
CID 66936754
6-(3-methyl-4-oxophthalazin-1-yl)-4H-1,4-benzoxazin-3-one
CID 1472754
(1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 35306474
6-(5-amino-4-bromo-1-methylpyrazol-3-yl)-4H-1,4-benzoxazin-3-one
CID 84605322

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one?
The IUPAC name of 1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one (CID 137243957) is 1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one.
What is the SMILES notation for 1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one?
The canonical SMILES for 1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one is Cn1nnc2c1NC(=O)CO2.
What is the InChIKey of 1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one?
The InChIKey is RUSGBOVJMMUOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c1-9-4-5(7-8-9)11-2-3(10)6-4/h2H2,1H3,(H,6,10).
What are the key properties of 1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one?
1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one has a molecular weight of 154.13 g/mol, XLogP of -0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7H-triazolo[4,5-b][1,4]oxazin-6-one is sourced from PubChem (CID 137243957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).