4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride

C14H16ClN7 — CID 54607780

IUPAC4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(/N=N/Nc2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C14H15N7.ClH/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);1H
InChIKeyGICUKDNQFYVFHC-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.79
Rot. Bonds5

About 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride

4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride (PubChem CID 54607780) has the molecular formula C14H16ClN7 and a molecular weight of 317.78 g/mol. Its IUPAC name is 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride
PubChem CID54607780
Molecular FormulaC14H16ClN7
Molecular Weight317.78 g/mol
Exact Mass317.12
IUPAC Name4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(/N=N/Nc2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C14H15N7.ClH/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);1H
InChIKeyGICUKDNQFYVFHC-UHFFFAOYSA-N
XLogP2.79
TPSA136.49 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride (CID 54607780) is 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(/N=N/Nc2ccc(/C(N)=N/[H])cc2)cc1.
What is the InChIKey of 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride?
The InChIKey is GICUKDNQFYVFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7.ClH/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);1H.
What are the key properties of 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride?
4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride has a molecular weight of 317.78 g/mol, XLogP of 2.79, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 54607780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).