6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one

C12H13N5O2 — CID 116884146

IUPAC6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(-c3cnc(NN)[nH]3)cc21
InChIInChI=1S/C12H13N5O2/c1-17-9-4-7(8-5-14-12(15-8)16-13)2-3-10(9)19-6-11(17)18/h2-5H,6,13H2,1H3,(H2,14,15,16)
InChIKeyAVGUSGVLDPAZIX-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.72
Rot. Bonds2

About 6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one

6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one (PubChem CID 116884146) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one
PubChem CID116884146
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(-c3cnc(NN)[nH]3)cc21
InChIInChI=1S/C12H13N5O2/c1-17-9-4-7(8-5-14-12(15-8)16-13)2-3-10(9)19-6-11(17)18/h2-5H,6,13H2,1H3,(H2,14,15,16)
InChIKeyAVGUSGVLDPAZIX-UHFFFAOYSA-N
XLogP0.72
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one
CID 117001096
6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one
CID 96667520
6-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,4-benzoxazin-3-one
CID 82360077
6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871
6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane
CID 90868639
4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidine-2-carbonitrile
CID 116900870
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
6-(3-hydrazinyloxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one
CID 116876298
3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carbonyl chloride
CID 82371328
6-(6-amino-8-methylimidazo[1,2-a]pyridin-2-yl)-4-methyl-1,4-benzoxazin-3-one
CID 93206340
6-hydroperoxy-4-methyl-1,4-benzoxazin-3-one
CID 118920596
6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one
CID 116872667

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one (CID 116884146) is 6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2ccc(-c3cnc(NN)[nH]3)cc21.
What is the InChIKey of 6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is AVGUSGVLDPAZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-17-9-4-7(8-5-14-12(15-8)16-13)2-3-10(9)19-6-11(17)18/h2-5H,6,13H2,1H3,(H2,14,15,16).
What are the key properties of 6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one?
6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 259.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydrazinyl-1H-imidazol-5-yl)-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 116884146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).