N'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide

C14H15N7O2 — CID 11723085

IUPACN'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide
SMILES[H]/N=C(\N=O)c1ccc(NNNc2ccc(/C(N)=N/O)cc2)cc1
InChIInChI=1S/C14H15N7O2/c15-13(19-22)9-1-5-11(6-2-9)17-21-18-12-7-3-10(4-8-12)14(16)20-23/h1-8,15,17-18,21,23H,(H2,16,20)/b15-13-
InChIKeySNAVMUHNYXKKNW-SQFISAMPSA-N
MW313.32 g/mol
LogP1.82
Rot. Bonds6

About N'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide

N'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide (PubChem CID 11723085) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is N'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide
PubChem CID11723085
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC NameN'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide
SMILES[H]/N=C(\N=O)c1ccc(NNNc2ccc(/C(N)=N/O)cc2)cc1
InChIInChI=1S/C14H15N7O2/c15-13(19-22)9-1-5-11(6-2-9)17-21-18-12-7-3-10(4-8-12)14(16)20-23/h1-8,15,17-18,21,23H,(H2,16,20)/b15-13-
InChIKeySNAVMUHNYXKKNW-SQFISAMPSA-N
XLogP1.82
TPSA147.98 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.32
LogP ≤ 51.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide (CID 11723085) is N'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide is [H]/N=C(\N=O)c1ccc(NNNc2ccc(/C(N)=N/O)cc2)cc1.
What is the InChIKey of N'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide?
The InChIKey is SNAVMUHNYXKKNW-SQFISAMPSA-N. The full InChI is InChI=1S/C14H15N7O2/c15-13(19-22)9-1-5-11(6-2-9)17-21-18-12-7-3-10(4-8-12)14(16)20-23/h1-8,15,17-18,21,23H,(H2,16,20)/b15-13-.
What are the key properties of N'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide?
N'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide has a molecular weight of 313.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-[4-(N-oxocarbamimidoyl)anilino]hydrazinyl]benzenecarboximidamide is sourced from PubChem (CID 11723085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).