N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide

C16H14N4O — CID 173127897

IUPACN'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide
SMILESNC(=NO)c1ccccc1/C=C/c1n[nH]c2ccccc12
InChIInChI=1S/C16H14N4O/c17-16(20-21)12-6-2-1-5-11(12)9-10-15-13-7-3-4-8-14(13)18-19-15/h1-10,21H,(H2,17,20)(H,18,19)/b10-9+
InChIKeyFCRSPVMGJRNIDB-MDZDMXLPSA-N
MW278.32 g/mol
LogP2.83
Rot. Bonds3

About N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide

N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide (PubChem CID 173127897) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide
PubChem CID173127897
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC NameN'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide
SMILESNC(=NO)c1ccccc1/C=C/c1n[nH]c2ccccc12
InChIInChI=1S/C16H14N4O/c17-16(20-21)12-6-2-1-5-11(12)9-10-15-13-7-3-4-8-14(13)18-19-15/h1-10,21H,(H2,17,20)(H,18,19)/b10-9+
InChIKeyFCRSPVMGJRNIDB-MDZDMXLPSA-N
XLogP2.83
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide (CID 173127897) is N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide is NC(=NO)c1ccccc1/C=C/c1n[nH]c2ccccc12.
What is the InChIKey of N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide?
The InChIKey is FCRSPVMGJRNIDB-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H14N4O/c17-16(20-21)12-6-2-1-5-11(12)9-10-15-13-7-3-4-8-14(13)18-19-15/h1-10,21H,(H2,17,20)(H,18,19)/b10-9+.
What are the key properties of N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide?
N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide has a molecular weight of 278.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide is sourced from PubChem (CID 173127897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).