(3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone

C13H14N4O2 — CID 163893903

IUPAC(3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone
SMILESNOc1cc(N)c(N)cc1C(=O)c1cccc(N)c1
InChIInChI=1S/C13H14N4O2/c14-8-3-1-2-7(4-8)13(18)9-5-10(15)11(16)6-12(9)19-17/h1-6H,14-17H2
InChIKeyQDXYMZFPHUUOJD-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.92
Rot. Bonds3

About (3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone

(3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone (PubChem CID 163893903) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is (3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone
PubChem CID163893903
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name(3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone
SMILESNOc1cc(N)c(N)cc1C(=O)c1cccc(N)c1
InChIInChI=1S/C13H14N4O2/c14-8-3-1-2-7(4-8)13(18)9-5-10(15)11(16)6-12(9)19-17/h1-6H,14-17H2
InChIKeyQDXYMZFPHUUOJD-UHFFFAOYSA-N
XLogP0.92
TPSA130.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
(3-amino-2-chlorophenyl)-(3-aminophenyl)methanone
CID 86124935
(3-aminophenyl)-phenylmethanone
CID 17817
(3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone
CID 82265129
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
(3-aminophenyl)-(2,3-dichlorophenyl)methanone
CID 116548558
3-(3-aminobenzoyl)benzoic acid
CID 18974175
(3-aminophenyl)-(2-phenylphenyl)methanone
CID 159233114
(3-aminophenyl)-(2,4-dibromophenyl)methanone
CID 141034944
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681672

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone?
The IUPAC name of (3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone (CID 163893903) is (3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone is NOc1cc(N)c(N)cc1C(=O)c1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone?
The InChIKey is QDXYMZFPHUUOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-8-3-1-2-7(4-8)13(18)9-5-10(15)11(16)6-12(9)19-17/h1-6H,14-17H2.
What are the key properties of (3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone?
(3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone has a molecular weight of 258.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone is sourced from PubChem (CID 163893903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).