6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide

C8H12N8 — CID 91929339

IUPAC6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(C/N=N/C(N)=N/N)n1
InChIInChI=1S/C8H12N8/c9-7(10)6-3-1-2-5(14-6)4-13-16-8(11)15-12/h1-3H,4,12H2,(H3,9,10)(H2,11,15)/b16-13+
InChIKeyNPIKCFZNKMYTRI-DTQAZKPQSA-N
MW220.24 g/mol
LogP-0.49
Rot. Bonds3

About 6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide

6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide (PubChem CID 91929339) has the molecular formula C8H12N8 and a molecular weight of 220.24 g/mol. Its IUPAC name is 6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide
PubChem CID91929339
Molecular FormulaC8H12N8
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(C/N=N/C(N)=N/N)n1
InChIInChI=1S/C8H12N8/c9-7(10)6-3-1-2-5(14-6)4-13-16-8(11)15-12/h1-3H,4,12H2,(H3,9,10)(H2,11,15)/b16-13+
InChIKeyNPIKCFZNKMYTRI-DTQAZKPQSA-N
XLogP-0.49
TPSA151.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide?
The IUPAC name of 6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide (CID 91929339) is 6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(C/N=N/C(N)=N/N)n1.
What is the InChIKey of 6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide?
The InChIKey is NPIKCFZNKMYTRI-DTQAZKPQSA-N. The full InChI is InChI=1S/C8H12N8/c9-7(10)6-3-1-2-5(14-6)4-13-16-8(11)15-12/h1-3H,4,12H2,(H3,9,10)(H2,11,15)/b16-13+.
What are the key properties of 6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide?
6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide has a molecular weight of 220.24 g/mol, XLogP of -0.49, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(E)-C-aminocarbonohydrazonoyl]diazenyl]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 91929339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).