3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide

C9H13N7 — CID 10082156

IUPAC3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(/C=N/N/C(N)=N/N)c1
InChIInChI=1S/C9H13N7/c10-8(11)7-3-1-2-6(4-7)5-14-16-9(12)15-13/h1-5H,13H2,(H3,10,11)(H3,12,15,16)/b14-5+
InChIKeyVPKRZCQRCZSSMS-LHHJGKSTSA-N
MW219.25 g/mol
LogP-0.92
Rot. Bonds3

About 3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide

3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide (PubChem CID 10082156) has the molecular formula C9H13N7 and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide
PubChem CID10082156
Molecular FormulaC9H13N7
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(/C=N/N/C(N)=N/N)c1
InChIInChI=1S/C9H13N7/c10-8(11)7-3-1-2-6(4-7)5-14-16-9(12)15-13/h1-5H,13H2,(H3,10,11)(H3,12,15,16)/b14-5+
InChIKeyVPKRZCQRCZSSMS-LHHJGKSTSA-N
XLogP-0.92
TPSA138.66 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide?
The IUPAC name of 3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide (CID 10082156) is 3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide?
The canonical SMILES for 3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(/C=N/N/C(N)=N/N)c1.
What is the InChIKey of 3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide?
The InChIKey is VPKRZCQRCZSSMS-LHHJGKSTSA-N. The full InChI is InChI=1S/C9H13N7/c10-8(11)7-3-1-2-6(4-7)5-14-16-9(12)15-13/h1-5H,13H2,(H3,10,11)(H3,12,15,16)/b14-5+.
What are the key properties of 3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide?
3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide has a molecular weight of 219.25 g/mol, XLogP of -0.92, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[[(E)-C-aminocarbonohydrazonoyl]hydrazinylidene]methyl]benzenecarboximidamide is sourced from PubChem (CID 10082156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).