6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one

C9H12N4O2 — CID 115260484

IUPAC6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one
SMILESNNCN1C(=O)COc2ccc(N)cc21
InChIInChI=1S/C9H12N4O2/c10-6-1-2-8-7(3-6)13(5-12-11)9(14)4-15-8/h1-3,12H,4-5,10-11H2
InChIKeyDYROYSYFCVINDL-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.58
Rot. Bonds2

About 6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one

6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one (PubChem CID 115260484) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one
PubChem CID115260484
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one
SMILESNNCN1C(=O)COc2ccc(N)cc21
InChIInChI=1S/C9H12N4O2/c10-6-1-2-8-7(3-6)13(5-12-11)9(14)4-15-8/h1-3,12H,4-5,10-11H2
InChIKeyDYROYSYFCVINDL-UHFFFAOYSA-N
XLogP-0.58
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-4-[(4-aminophenyl)methyl]-1,4-benzoxazin-3-one
CID 115212371
6-amino-4-(2,2-difluoroethyl)-1,4-benzoxazin-3-one
CID 60922931
6-amino-4-heptyl-1,4-benzoxazin-3-one
CID 43479486
6-amino-4-(6-hydroxyhexyl)-1,4-benzoxazin-3-one
CID 107703729
6-amino-4-(thiophen-2-ylmethyl)-1,4-benzoxazin-3-one
CID 43479495
5-(6-amino-3-oxo-1,4-benzoxazin-4-yl)pentanenitrile
CID 54965942
6-amino-4-(3-hydroxy-2,2-dimethylpropyl)-1,4-benzoxazin-3-one
CID 115135141
6-amino-4-[(2-bromophenyl)methyl]-1,4-benzoxazin-3-one
CID 43479506
6-amino-4-(piperidin-4-ylmethyl)-1,4-benzoxazin-3-one
CID 115209824
6-amino-4-[[1-(aminomethyl)cyclobutyl]methyl]-1,4-benzoxazin-3-one
CID 115245618
6-amino-4-[(2,5-dimethylphenyl)methyl]-1,4-benzoxazin-3-one
CID 61482029
6-amino-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 14423588

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one (CID 115260484) is 6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one is NNCN1C(=O)COc2ccc(N)cc21.
What is the InChIKey of 6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one?
The InChIKey is DYROYSYFCVINDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-6-1-2-8-7(3-6)13(5-12-11)9(14)4-15-8/h1-3,12H,4-5,10-11H2.
What are the key properties of 6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one?
6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one has a molecular weight of 208.22 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 115260484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).